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5F5C
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BU of 5f5c by Molmil
Crystal Structure of human JMJD2D complexed with KDOPP7
Descriptor: 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ...
Authors:Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2W7N
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BU of 2w7n by Molmil
Crystal Structure of KorA Bound to Operator DNA: Insight into Repressor Cooperation in RP4 Gene Regulation
Descriptor: 5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*GP*CP *TP*AP*AP*AP*CP*AP*AP*G)-3', 5'-D(*CP*BRUP*BRUP*GP*TP*TP*TP*AP*GP*CP*TP*AP *AP*AP*CP*AP*BRUP*T)-3', TRFB TRANSCRIPTIONAL REPRESSOR PROTEIN
Authors:Koenig, B, Mueller, J.J, Lanka, E, Heinemann, U.
Deposit date:2008-12-23
Release date:2009-02-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Kora Bound to Operator DNA: Insight Into Repressor Cooperation in Rp4 Gene Regulation
Nucleic Acids Res., 37, 2009
5XJG
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BU of 5xjg by Molmil
Crystal structure of Vac8p bound to Nvj1p
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Nucleus-vacuole junction protein 1, ...
Authors:Jeong, H, Park, J, Jun, Y, Lee, C.
Deposit date:2017-05-01
Release date:2017-06-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic insight into the nucleus-vacuole junction based on the Vac8p-Nvj1p crystal structure.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4Q8N
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BU of 4q8n by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant V262C Apo Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents
To be Published
7NVO
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BU of 7nvo by Molmil
Human TRiC complex in open state with nanobody bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W.
Deposit date:2021-03-15
Release date:2022-03-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
4GJJ
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BU of 4gjj by Molmil
Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant H101N in complex with D-allopyranose
Descriptor: D-ALLOSE, L-rhamnose isomerase, MANGANESE (II) ION, ...
Authors:Yoshida, H, Kamitori, S.
Deposit date:2012-08-09
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of l-rhamnose isomerase in complex with l-rhamnopyranose demonstrates the sugar-ring opening mechanism and the role of a substrate sub-binding site.
FEBS Open Bio, 3, 2013
6WPK
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BU of 6wpk by Molmil
SARM1 Autoinhibited Conformation
Descriptor: NAD(+) hydrolase SARM1
Authors:Xie, T, Bratkowski, M, Bai, X, Sambashivan, S.
Deposit date:2020-04-27
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and Mechanistic Regulation of the Prodegenerative NAD Hydrolase SARM1
Cell Rep, 32, 2020
2ZMX
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BU of 2zmx by Molmil
Crystal structure of the met1-form of the copper-bound tyrosinase in complex with a caddie protein from Streptomyces castaneoglobisporus obtained by soaking in cupric sulfate solution for 36 hours
Descriptor: CADDIE, COPPER (II) ION, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2008-04-21
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystallographic Evidence That the Dinuclear Copper Center of Tyrosinase Is Flexible during Catalysis
J.Biol.Chem., 281, 2006
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
Descriptor: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
Authors:Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
Deposit date:2015-02-02
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
7NVM
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BU of 7nvm by Molmil
Human TRiC complex in closed state with nanobody Nb18, actin and PhLP2A bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Actin, ...
Authors:Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2021-03-15
Release date:2022-03-02
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
6WL0
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BU of 6wl0 by Molmil
Cryo-EM of Form 1 related peptide filament, 36-31-3-RD
Descriptor: peptide 36-31-3-RD
Authors:Wang, F, Gnewou, O.M, Su, Z, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
3FBM
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BU of 3fbm by Molmil
D431N Mutant VP2 Protein of Infectious Bursal Disease Virus; Derived T=1 Particles
Descriptor: CALCIUM ION, Polyprotein
Authors:Irigoyen, N, Garriga, D, Navarro, A, Verdaguer, N, Rodriguez, J.F, Caston, J.R.
Deposit date:2008-11-19
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Autoproteolytic Activity Derived from the Infectious Bursal Disease Virus Capsid Protein
J.Biol.Chem., 284, 2009
5EZ3
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BU of 5ez3 by Molmil
Crystal structure Acyl-CoA dehydrogenase from Brucella melitensis in complex with FAD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Acyl-CoA dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-26
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure Acyl-CoA dehydrogenase from Brucella melitensis in complex with FAD
to be published
5XUB
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BU of 5xub by Molmil
The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain
Descriptor: CITRIC ACID, Methyl-accepting chemotaxis sensory transducer
Authors:Hong, Y, Li, D.F, Wang, D.C.
Deposit date:2017-06-23
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-binding domain of a chemoreceptor from Comamonas testosteroni has a previously unknown homotrimeric structure.
Mol.Microbiol., 2019
2NB1
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BU of 2nb1 by Molmil
P63/p73 hetero-tetramerisation domain
Descriptor: Tumor protein 63, Tumor protein p73
Authors:Gebel, J, Buchner, L, Loehr, F.M, Luh, L.M, Coutandin, D, Guentert, P, Doetsch, V.
Deposit date:2016-01-19
Release date:2016-12-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanism of TAp73 inhibition by Delta Np63 and structural basis of p63/p73 hetero-tetramerization.
Cell Death Differ., 23, 2016
5F0J
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BU of 5f0j by Molmil
Structure of retromer VPS26-VPS35 subunits bound to SNX3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A.
Deposit date:2015-11-27
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
4PY8
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BU of 4py8 by Molmil
Crystal structure of Fab 3.1 in complex with the 1918 influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Dreyfus, C.
Deposit date:2014-03-26
Release date:2014-05-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody.
J.Virol., 88, 2014
1PQX
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BU of 1pqx by Molmil
Solution NMR Structure of Staphylococcus aureus protein SAV1430. Northeast Structural Genomics Consortium Target ZR18.
Descriptor: conserved hypothetical protein
Authors:Baran, M.C, Aramini, J.M, Xiao, R, Huang, Y.J, Acton, T.B, Shih, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-06-19
Release date:2004-09-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Strucutre of the Hypothetical Staphylococcus Aureus protein SAV1430. Northest Strucutral Genomics Consortium target ZR18
To be Published
4XLF
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BU of 4xlf by Molmil
Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with pentasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-01-13
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
3FC3
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BU of 3fc3 by Molmil
Crystal structure of the beta-beta-alpha-Me type II restriction endonuclease Hpy99I
Descriptor: 5'-(*DCP*DTP*DCP*DGP*DAP*DCP*DGP*DTP*DAP*DGP*DA)-3', 5'-(*DTP*DAP*DCP*DGP*DTP*DCP*DGP*DAP*DGP*DTP*DC)-3', Restriction endonuclease Hpy99I, ...
Authors:Sokolowska, M, Czapinska, H, Bochtler, M.
Deposit date:2008-11-21
Release date:2009-03-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the beta beta alpha-Me type II restriction endonuclease Hpy99I with target DNA.
Nucleic Acids Res., 37, 2009
4XLZ
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BU of 4xlz by Molmil
N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the presence of cadmium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K.
Deposit date:2015-01-14
Release date:2015-06-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
Acta Crystallogr.,Sect.F, 71, 2015
7NSG
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BU of 7nsg by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
Descriptor: (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2021-03-05
Release date:2022-03-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
5F78
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BU of 5f78 by Molmil
Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form
Descriptor: Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8518 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
4Y2X
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BU of 4y2x by Molmil
Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol
Descriptor: 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
3FCU
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BU of 3fcu by Molmil
Structure of headpiece of integrin aIIBb3 in open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ...
Authors:Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
Deposit date:2008-11-22
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008

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