4MWD
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![BU of 4mwd by Molmil](/molmil-images/mine/4mwd) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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6MWH
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![BU of 6mwh by Molmil](/molmil-images/mine/6mwh) | LasR LBD:BB0020 complex | Descriptor: | 2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-29 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
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1U2S
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![BU of 1u2s by Molmil](/molmil-images/mine/1u2s) | X-Ray structure of the sucrose-phosphatase (SPP) from Synechocystis sp. PCC6803 in complex with glucose | Descriptor: | MAGNESIUM ION, alpha-D-glucopyranose, sucrose-phosphatase | Authors: | Fieulaine, S, Lunn, J.E, Borel, F, Ferrer, J.-L. | Deposit date: | 2004-07-20 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of a cyanobacterial sucrose-phosphatase reveals the sugar tongs that release free sucrose in the cell PLANT CELL, 17, 2005
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6TC7
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![BU of 6tc7 by Molmil](/molmil-images/mine/6tc7) | PAS-GAF bidomain of Glycine max phytochromeA | Descriptor: | DI(HYDROXYETHYL)ETHER, PHYCOCYANOBILIN, Phytochrome | Authors: | Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. | Deposit date: | 2019-11-05 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural insights into photoactivation and signalling in plant phytochromes. Nat.Plants, 6, 2020
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6VXR
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![BU of 6vxr by Molmil](/molmil-images/mine/6vxr) | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase | Authors: | Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-24 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 To Be Published
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1RR9
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![BU of 1rr9 by Molmil](/molmil-images/mine/1rr9) | Catalytic domain of E.coli Lon protease | Descriptor: | ATP-dependent protease La, SULFATE ION | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Tropea, J.E, Khalatova, A.G, Dauter, Z, Maurizi, M.R, Rotanova, T.V, Wlodawer, A, Gustchina, A. | Deposit date: | 2003-12-08 | Release date: | 2003-12-23 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The catalytic domain of Escherichia coli Lon protease has a unique fold and a Ser-Lys dyad in the active site J.Biol.Chem., 279, 2004
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1RS4
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![BU of 1rs4 by Molmil](/molmil-images/mine/1rs4) | DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1R18
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![BU of 1r18 by Molmil](/molmil-images/mine/1r18) | Drosophila protein isoaspartyl methyltransferase with S-adenosyl-L-homocysteine | Descriptor: | Protein-L-isoaspartate(D-aspartate)-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Bennett, E.J, Bjerregaard, J, Knapp, J.E, Chavous, D.A, Friedman, A.M, Royer Jr, W.E, O'Connor, C.M. | Deposit date: | 2003-09-23 | Release date: | 2003-12-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic implications from the Drosophila protein L-isoaspartyl methyltransferase structure and site-directed mutagenesis. Biochemistry, 42, 2003
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6NPN
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![BU of 6npn by Molmil](/molmil-images/mine/6npn) | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor | Descriptor: | (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-18 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor To Be Published
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4KQR
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![BU of 4kqr by Molmil](/molmil-images/mine/4kqr) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4K8Y
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![BU of 4k8y by Molmil](/molmil-images/mine/4k8y) | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) | Descriptor: | Kallikrein-4, Trypsin inhibitor 1 | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | Deposit date: | 2013-04-19 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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6N0N
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![BU of 6n0n by Molmil](/molmil-images/mine/6n0n) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ574 | Descriptor: | 1,2-ETHANEDIOL, 4-methylbenzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.477 Å) | Cite: | Crystal structure of Tdp1 catalytic domain To Be Published
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1RQF
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![BU of 1rqf by Molmil](/molmil-images/mine/1rqf) | Structure of CK2 beta subunit crystallized in the presence of a p21WAF1 peptide | Descriptor: | Casein kinase II beta chain, Disordered segment of Cyclin-dependent kinase inhibitor 1, UNKNOWN, ... | Authors: | Bertrand, L, Sayed, M.F, Pei, X.-Y, Parisini, E, Dhanaraj, V, Bolanos-Garcia, V.M, Allende, J.E, Blundell, T.L. | Deposit date: | 2003-12-05 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of the regulatory subunit of CK2 in the presence of a p21WAF1 peptide demonstrates flexibility of the acidic loop. Acta Crystallogr.,Sect.D, 60, 2004
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1RSI
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![BU of 1rsi by Molmil](/molmil-images/mine/1rsi) | DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine | Descriptor: | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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4MW9
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![BU of 4mw9 by Molmil](/molmil-images/mine/4mw9) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478) | Descriptor: | 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MWB
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![BU of 4mwb by Molmil](/molmil-images/mine/4mwb) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509) | Descriptor: | 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MVX
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![BU of 4mvx by Molmil](/molmil-images/mine/4mvx) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MWC
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![BU of 4mwc by Molmil](/molmil-images/mine/4mwc) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540) | Descriptor: | 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MVY
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![BU of 4mvy by Molmil](/molmil-images/mine/4mvy) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.314 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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6MWW
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![BU of 6mww by Molmil](/molmil-images/mine/6mww) | LasR LBD:BB0126 complex | Descriptor: | 4-[3-(methylsulfonyl)phenoxy]-N-[(1R,3R,5R)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-30 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
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6N0O
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![BU of 6n0o by Molmil](/molmil-images/mine/6n0o) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ523 | Descriptor: | 1,2-ETHANEDIOL, 4-nitrobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.943 Å) | Cite: | Crystal structure of Tdp1 catalytic domain To Be Published
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4KGK
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![BU of 4kgk by Molmil](/molmil-images/mine/4kgk) | Bacterial tRNA(HIS) Guanylyltransferase (Thg1)-Like Protein in complex with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Thg1-like uncharacterized protein | Authors: | Hyde, S.J, Rao, B.S, Eckenroth, B.E, Jackman, J.E, Doublie, S. | Deposit date: | 2013-04-29 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Studies of a Bacterial tRNA(HIS) Guanylyltransferase (Thg1)-Like Protein, with Nucleotide in the Activation and Nucleotidyl Transfer Sites. Plos One, 8, 2013
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6X0O
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![BU of 6x0o by Molmil](/molmil-images/mine/6x0o) | Single-Particle Cryo-EM Structure of Arabinosyltransferase EmbB from Mycobacterium smegmatis | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB | Authors: | Tan, Y.Z, Rodrigues, J, Keener, J.E, Zheng, R.B, Brunton, R, Kloss, B, Giacometti, S.I, Rosario, A.L, Zhang, L, Niederweis, M, Clarke, O.B, Lowary, T.L, Marty, M.T, Archer, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-05-17 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of arabinosyltransferase EmbB from Mycobacterium smegmatis. Nat Commun, 11, 2020
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1UEX
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![BU of 1uex by Molmil](/molmil-images/mine/1uex) | Crystal structure of von Willebrand Factor A1 domain complexed with snake venom bitiscetin | Descriptor: | bitiscetin alpha chain, bitiscetin beta chain, von Willebrand Factor | Authors: | Maita, N, Nishio, K, Nishimoto, E, Matsui, T, Shikamoto, Y, Morita, T, Sadler, J.E, Mizuno, H. | Deposit date: | 2003-05-22 | Release date: | 2003-09-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of von Willebrand factor A1 domain complexed with snake venom, bitiscetin. Insight into glycoprotein Ibalpha binding mechanism induced by snake venom proteins. J.Biol.Chem., 278, 2003
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1U34
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![BU of 1u34 by Molmil](/molmil-images/mine/1u34) | 3D NMR structure of the first extracellular domain of CRFR-2beta, a type B1 G-protein coupled receptor | Descriptor: | Corticotropin releasing factor receptor 2 | Authors: | Grace, C.R, Perrin, M.H, DiGruccio, M.R, Miller, C.L, Rivier, J.E, Vale, W.W, Riek, R. | Deposit date: | 2004-07-20 | Release date: | 2004-09-07 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | NMR structure and peptide hormone binding site of the first extracellular domain of a type B1 G protein-coupled receptor Proc.Natl.Acad.Sci.USA, 101, 2004
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