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3QBC
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BU of 3qbc by Molmil
Structure and design of a new pterin site inhibitor of S. aureus HPPK
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
著者Peat, T.S, Chhabra, S, Swarbrick, J.D.
登録日2011-01-12
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of S. aureus HPPK and the discovery of a new substrate site inhibitor
Plos One, 7, 2012
5AEA
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BU of 5aea by Molmil
Crystal structure of human NCAM domain 1
分子名称: CITRATE ANION, NEURAL CELL ADHESION MOLECULE 1
著者Kvansakul, M, Griffiths, K, Foley, M.
登録日2015-08-27
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献I-Bodies, Human Single Domain Antibodies that Antagonize Chemokine Receptor Cxcr4.
J.Biol.Chem., 291, 2016
6BA2
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BU of 6ba2 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor
分子名称: 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-11
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.85003817 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
6CT2
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BU of 6ct2 by Molmil
MYST histone acetyltransferase KAT6A/B in complex with WM-1119
分子名称: 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ...
著者Ren, B, Peat, T.S.
登録日2018-03-22
公開日2018-08-01
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
6BA4
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BU of 6ba4 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor
分子名称: ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-12
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
6WEW
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BU of 6wew by Molmil
Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WET
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BU of 6wet by Molmil
Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-02
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WEU
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BU of 6weu by Molmil
Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WFJ
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BU of 6wfj by Molmil
Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WEV
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BU of 6wev by Molmil
Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
5EH7
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BU of 5eh7 by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-28
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.425 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EH5
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BU of 5eh5 by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: 1.7.6 4-methylpyrimidine-2-sulfonamide, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-28
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.207 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EHV
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BU of 5ehv by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-29
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EH8
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BU of 5eh8 by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-28
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.381 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EHW
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BU of 5ehw by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-29
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
2YWZ
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BU of 2ywz by Molmil
Structure of new antigen receptor variable domain from sharks
分子名称: new antigen receptor variable domain
著者Streltsov, V.A.
登録日2007-04-23
公開日2007-10-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Shark IgNAR antibody mimotopes target a murine immunoglobulin through extended CDR3 loop structures
Proteins, 71, 2007
3AB0
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BU of 3ab0 by Molmil
Crystal structure of complex of the Bacillus anthracis major spore surface protein BclA with ScFv antibody fragment
分子名称: BclA protein, antibody ScFv fragment, heavy chain, ...
著者Streltsov, V.A.
登録日2009-11-28
公開日2010-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Isolation, kinetic analysis, and structural characterization of an antibody targeting the Bacillus anthracis major spore surface protein BclA.
Proteins, 79, 2011
2Z8W
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BU of 2z8w by Molmil
Structure of an IgNAR-AMA1 complex
分子名称: Apical membrane antigen 1, New antigen receptor variable domain
著者Streltsov, V.A, Henderson, K.A, Batchelor, A.H, Coley, A.M, Nuttall, S.D.
登録日2007-09-11
公開日2007-11-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of an IgNAR-AMA1 Complex: Targeting a Conserved Hydrophobic Cleft Broadens Malarial Strain Recognition
Structure, 15, 2007
2Z8V
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BU of 2z8v by Molmil
Structure of an IgNAR-AMA1 complex
分子名称: Apical membrane antigen 1, New antigen receptor variable domain
著者Streltsov, V.A, Henderson, K.A, Batchelor, A.H, Coley, A.M, Nuttall, S.D.
登録日2007-09-11
公開日2007-11-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of an IgNAR-AMA1 Complex: Targeting a Conserved Hydrophobic Cleft Broadens Malarial Strain Recognition
Structure, 15, 2007
3AAZ
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BU of 3aaz by Molmil
Crystal structure of the humanized recombinant Fab fragment of a murine; antibody
分子名称: Humanized recombinant Fab fragment of a murine; antibody
著者Streltsov, V.A.
登録日2009-11-28
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Germline humanization of a murine Abeta antibody and crystal structure of the humanized recombinant Fab fragment.
Protein Sci., 19, 2010
2YWY
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BU of 2ywy by Molmil
Structure of new antigen receptor variable domain from sharks
分子名称: new antigen receptor variable domain
著者Streltsov, V.A.
登録日2007-04-23
公開日2007-10-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Shark IgNAR antibody mimotopes target a murine immunoglobulin through extended CDR3 loop structures
Proteins, 71, 2007
6PGE
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BU of 6pge by Molmil
WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate
分子名称: 1,2-ETHANEDIOL, SULFATE ION, WD repeat-containing protein 5, ...
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG7
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BU of 6pg7 by Molmil
WDR5delta32 bound to (2-(3-methoxy-3-phenylpropyl)-1H-imidazol-4-yl)methanol
分子名称: DI(HYDROXYETHYL)ETHER, WD repeat-containing protein 5, {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGD
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BU of 6pgd by Molmil
WDR5delta32 bound to peptidomimetic
分子名称: N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGC
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BU of 6pgc by Molmil
WDR5delta32 bound to methyl benzyl(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019

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