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4D3U
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BU of 4d3u by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase H128S in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
Descriptor: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
6NHY
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BU of 6nhy by Molmil
Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z.
Deposit date:2018-12-24
Release date:2019-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
6NHW
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BU of 6nhw by Molmil
Structure of the transmembrane domain of the Death Receptor 5 - Dimer of Trimer
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Chou, J.J, Pan, L, Fu, Q, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H.
Deposit date:2018-12-24
Release date:2019-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
4D3O
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BU of 4d3o by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine
Descriptor: 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
5BOA
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BU of 5boa by Molmil
Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2
Descriptor: Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose
Authors:Zhang, C, Yu, Y, Yang, M, Jiang, Y.
Deposit date:2015-05-27
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor.
Febs Lett., 590, 2016
7VTA
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BU of 7vta by Molmil
Talaromyces verruculosus talaropentaene synthase apo
Descriptor: TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
7VTB
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BU of 7vtb by Molmil
Partially closed conformation of talaropentaene synthase cyclase domain
Descriptor: NICKEL (II) ION, TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
4O08
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BU of 4o08 by Molmil
Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor
Descriptor: 2-phenoxyacetamide, SULFATE ION, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-12-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
2B1B
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BU of 2b1b by Molmil
5'-D(*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3' Zif268 binding site
Descriptor: 5'-D(*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*CP*CP*AP*CP*GP*C)-3', MAGNESIUM ION
Authors:Berman, H.M, Napoli, A.A.
Deposit date:2005-09-15
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Signatures of protein-DNA recognition in free DNA binding sites.
J.Mol.Biol., 386, 2009
7WIJ
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BU of 7wij by Molmil
Cryo-EM structure of prenyltransferase domain of Macrophoma phaseolina macrophomene synthase
Descriptor: Geranylgeranyl diphosphate synthase
Authors:Mori, T, Adachi, N, Abe, I.
Deposit date:2022-01-03
Release date:2022-06-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
4NZZ
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BU of 4nzz by Molmil
Crystal structure of epoxide hydrolase from bacillus megaterium
Descriptor: Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-12-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
2B1C
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BU of 2b1c by Molmil
5'-D(*GP*CP*GP*TP*GP*GP*GP*AP*CP*C)-3' Zif268 binding site
Descriptor: 5'-D(*GP*CP*GP*TP*GP*GP*GP*AP*CP*C)-3', 5'-D(*GP*GP*TP*CP*CP*CP*AP*CP*GP*C)-3', MAGNESIUM ION
Authors:Berman, H.M, Napoli, A.A.
Deposit date:2005-09-15
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Signatures of protein-DNA recognition in free DNA binding sites.
J.Mol.Biol., 386, 2009
2B1D
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BU of 2b1d by Molmil
5'-D(*GP*CP*AP*GP*AP*CP*GP*TP*CP*TP*GP*C)-3' Methionine Repressor binding site
Descriptor: 5'-D(*GP*CP*AP*GP*AP*CP*GP*TP*CP*TP*GP*C)-3', COBALT HEXAMMINE(III), MAGNESIUM ION
Authors:Berman, H.M, Locasale, J.W, Napoli, A.A.
Deposit date:2005-09-15
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Signatures of protein-DNA recognition in free DNA binding sites.
J.Mol.Biol., 386, 2009
5BO0
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BU of 5bo0 by Molmil
Crystal structure of Human MCM2 HBD and ASF1b chaperoning a histone H3.2-H4 dimer
Descriptor: DNA replication licensing factor MCM2, GLYCEROL, Histone H3.2, ...
Authors:Huang, H, Patel, D.J.
Deposit date:2015-05-26
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.
Nat.Struct.Mol.Biol., 22, 2015
5BNV
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BU of 5bnv by Molmil
Crystal structure of Human MCM2 HBD chaperoning a histone H3-H4 tetramer
Descriptor: DNA replication licensing factor MCM2, Histone H3.3, Histone H4, ...
Authors:Huang, H, Patel, D.J.
Deposit date:2015-05-26
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.
Nat.Struct.Mol.Biol., 22, 2015
4Y9J
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BU of 4y9j by Molmil
Crystal Structure of Caenorhabditis elegans ACDH-11 in complex with C11-CoA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Protein ACDH-11, isoform b, ...
Authors:Li, Z.J, Sun, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acyl-CoA Dehydrogenase Drives Heat Adaptation by Sequestering Fatty Acids
Cell, 161, 2015
5CJX
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BU of 5cjx by Molmil
Crystal structure of 8ANC195 Fab in complex with BG505 SOSIP.664 HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2015-07-15
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.584 Å)
Cite:Broadly Neutralizing Antibody 8ANC195 Recognizes Closed and Open States of HIV-1 Env.
Cell, 162, 2015
4Y9L
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BU of 4y9l by Molmil
Crystal Structure of Caenorhabditis elegans ACDH-11
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Protein ACDH-11, isoform b
Authors:Li, Z.J, Zhai, Y.J, Zhang, K, Sun, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Acyl-CoA Dehydrogenase Drives Heat Adaptation by Sequestering Fatty Acids
Cell, 161, 2015
5BS4
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BU of 5bs4 by Molmil
HIV-1 wild Type protease with GRL-047-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, 4-amino sulfonamide derivative)
Descriptor: (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2015-06-01
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
5BNX
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BU of 5bnx by Molmil
Crystal structure of Human MCM2 HBD and ASF1b chaperoning a histone H3.3-H4 dimer
Descriptor: DNA replication licensing factor MCM2, GLYCEROL, Histone H3.3, ...
Authors:Huang, H, Patel, D.J.
Deposit date:2015-05-26
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.
Nat.Struct.Mol.Biol., 22, 2015
5BRY
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BU of 5bry by Molmil
HIV-1 wild Type protease with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate)
Descriptor: (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2015-06-01
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
2G7P
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BU of 2g7p by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
5DW0
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BU of 5dw0 by Molmil
TrpB from Pyrococcus furiosus with L-serine bound as the external aldimine
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
2G7K
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BU of 2g7k by Molmil
Structure of the Light Chain of Botulinum Neurotoxin, Serotype A Bound to small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Crawford, A, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
2G7Q
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BU of 2g7q by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006

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