5CI1
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![BU of 5ci1 by Molmil](/molmil-images/mine/5ci1) | Ribonucleotide reductase Y122 2,3-F2Y variant | Descriptor: | CHLORIDE ION, MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1, ... | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2015-07-10 | Release date: | 2016-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example. J.Am.Chem.Soc., 138, 2016
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7PAC
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![BU of 7pac by Molmil](/molmil-images/mine/7pac) | The crystal structure of PDE6D in the apo state | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Beaumont, E, Williams, D. | Deposit date: | 2021-07-29 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects. Blood Cancer J, 12, 2022
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6GBR
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![BU of 6gbr by Molmil](/molmil-images/mine/6gbr) | Crystal Structure of the oligomerization domain of VP35 from Reston virus, mercury derivative | Descriptor: | MERCURIBENZOIC ACID, Polymerase cofactor VP35 | Authors: | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | Deposit date: | 2018-04-16 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species. Structure, 27, 2019
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3FFW
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![BU of 3ffw by Molmil](/molmil-images/mine/3ffw) | Crystal Structure of CheY triple mutant F14Q, N59K, E89Y complexed with BeF3- and Mn2+ | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, GLYCEROL, ... | Authors: | Pazy, Y, Collins, E.J, Bourret, R.B. | Deposit date: | 2008-12-04 | Release date: | 2009-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Matching Biochemical Reaction Kinetics to the Timescales of Life: Structural Determinants That Influence the Autodephosphorylation Rate of Response Regulator Proteins. J.Mol.Biol., 392, 2009
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4KPL
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![BU of 4kpl by Molmil](/molmil-images/mine/4kpl) | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg,d-mannonate and 2-keto-3-deoxy-d-gluconate | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, CHLORIDE ION, D-MANNONIC ACID, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-05-13 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg,d-mannonate and 2-keto-3-deoxy-d-gluconate To be Published
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3HY1
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![BU of 3hy1 by Molmil](/molmil-images/mine/3hy1) | Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with SerSA | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-HYDROXYETHYL DISULFIDE, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, ... | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | Deposit date: | 2009-06-22 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma. Nature, 462, 2009
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1KO6
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![BU of 1ko6 by Molmil](/molmil-images/mine/1ko6) | Crystal Structure of C-terminal Autoproteolytic Domain of Nucleoporin Nup98 | Descriptor: | Nuclear Pore Complex Protein Nup98 | Authors: | Hodel, A.E, Hodel, M.R, Griffis, E.R, Hennig, K.A, Ratner, G.A, Songli, X, Powers, M.A. | Deposit date: | 2001-12-20 | Release date: | 2002-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The three-dimensional structure of the autoproteolytic, nuclear pore-targeting domain of the human nucleoporin Nup98. Mol.Cell, 10, 2002
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4TRZ
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![BU of 4trz by Molmil](/molmil-images/mine/4trz) | Structure of BACE1 complex with 2-thiophenyl HEA-type inhibitor | Descriptor: | 2-thiophenyl HEA-type inhibitor, Beta-secretase 1 | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015
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6E04
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![BU of 6e04 by Molmil](/molmil-images/mine/6e04) | sperm whale myoglobin 1-nitrosopropane | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-06 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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2B6E
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![BU of 2b6e by Molmil](/molmil-images/mine/2b6e) | X-Ray Crystal Structure of Protein HI1161 from Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR63. | Descriptor: | ACETIC ACID, Hypothetical UPF0152 protein HI1161 | Authors: | Kuzin, A.P, Benach, J, Chen, Y, Acton, T, Xiao, R, Conover, K, Ma, L.-C, Kellie, R, Cunningham, K.E, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-01 | Release date: | 2005-10-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray structure of the different crystal form of the hypothetical UPF0152 protein HI1161: NESG target IR63 TO BE PUBLISHED
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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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2OZQ
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![BU of 2ozq by Molmil](/molmil-images/mine/2ozq) | Crystal Structure of apo-MUP | Descriptor: | CADMIUM ION, Novel member of the major urinary protein (Mup) gene family, SODIUM ION | Authors: | Dennis, C.A, Homans, S.W, Phillips, S.E.V, Syme, N.R. | Deposit date: | 2007-02-27 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Origin of heat capacity changes in a "nonclassical" hydrophobic interaction. Chembiochem, 8, 2007
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2WMF
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![BU of 2wmf by Molmil](/molmil-images/mine/2wmf) | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae TIGR4 (Sp4GH98) in its native form. | Descriptor: | FUCOLECTIN-RELATED PROTEIN | Authors: | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2009-06-30 | Release date: | 2009-07-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases. J.Biol.Chem., 284, 2009
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2OT5
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![BU of 2ot5 by Molmil](/molmil-images/mine/2ot5) | |
5BK7
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![BU of 5bk7 by Molmil](/molmil-images/mine/5bk7) | The structure of MppP E15A mutant soaked with the substrate L-arginine | Descriptor: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine, PLP-Dependent L-Arginine Hydroxylase MppP | Authors: | Han, L, Silvaggi, N.R. | Deposit date: | 2018-01-27 | Release date: | 2018-09-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Streptomyces wadayamensis MppP is a PLP-Dependent Oxidase, Not an Oxygenase. Biochemistry, 57, 2018
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2WMD
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![BU of 2wmd by Molmil](/molmil-images/mine/2wmd) | Crystal structure of NmrA-like family domain containing protein 1 in complex with NADP and 2-(4-chloro-phenylamino)-nicotinic acid | Descriptor: | 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1 | Authors: | Bhatia, C, Pilka, E, Niesen, F, Yue, W.W, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2009-06-30 | Release date: | 2009-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Nmra-Like Family Domain Containing Protein 1 To be Published
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2P37
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![BU of 2p37 by Molmil](/molmil-images/mine/2p37) | Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-3man-OMe | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ... | Authors: | Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W. | Deposit date: | 2007-03-08 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins. J.Struct.Biol., 160, 2007
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3HXZ
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![BU of 3hxz by Molmil](/molmil-images/mine/3hxz) | Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with AlaSA | Descriptor: | '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | Deposit date: | 2009-06-22 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma. Nature, 462, 2009
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1JU7
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![BU of 1ju7 by Molmil](/molmil-images/mine/1ju7) | |
4N49
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![BU of 4n49 by Molmil](/molmil-images/mine/4n49) | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 Protein in complex with m7GpppG and SAM | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ... | Authors: | Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M. | Deposit date: | 2013-10-08 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation. Nat Commun, 5, 2014
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3OR1
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![BU of 3or1 by Molmil](/molmil-images/mine/3or1) | Crystal structure of dissimilatory sulfite reductase I (DsrI) | Descriptor: | IRON/SULFUR CLUSTER, SIROHEME, SULFITE ION, ... | Authors: | Hsieh, Y.C, Liu, M.Y, Wang, V.C.C, Chiang, Y.L, Liu, E.H, Wu, W.G, Chan, S.I, Chen, C.J. | Deposit date: | 2010-09-06 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure insights into the enzyme catalysis from comparison of three forms of dissimilatory sulfite reductase from Desulfovibrio gigas To be Published
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6E1N
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![BU of 6e1n by Molmil](/molmil-images/mine/6e1n) | Structure of AtTPC1(DDE) in state 1 | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CALCIUM ION, PALMITIC ACID, ... | Authors: | Kintzer, A.F, Green, E.M, Cheng, Y, Stroud, R.M. | Deposit date: | 2018-07-10 | Release date: | 2018-09-19 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis for activation of voltage sensor domains in an ion channel TPC1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4GIU
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![BU of 4giu by Molmil](/molmil-images/mine/4giu) | Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (AnPRT; trpD). | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ... | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-08-09 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.667 Å) | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis. Chembiochem, 15, 2014
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2P7V
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![BU of 2p7v by Molmil](/molmil-images/mine/2p7v) | Crystal structure of the Escherichia coli regulator of sigma 70, Rsd, in complex with sigma 70 domain 4 | Descriptor: | MAGNESIUM ION, RNA polymerase sigma factor rpoD, Regulator of sigma D | Authors: | Patikoglou, G.A, Westblade, L.F, Campbell, E.A, Lamour, V, Lane, W.J, Darst, S.A. | Deposit date: | 2007-03-20 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the Escherichia coli regulator of sigma70, Rsd, in complex with sigma70 domain 4. J.Mol.Biol., 372, 2007
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