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5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
分子名称: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A, Margarit, S.M.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K2Y
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BU of 4k2y by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-09
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K69
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BU of 4k69 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
分子名称: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A, Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4K5Z
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BU of 4k5z by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
1C0R
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BU of 1c0r by Molmil
COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID
分子名称: CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ...
著者Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
登録日1999-07-20
公開日1999-07-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
1C0Q
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BU of 1c0q by Molmil
COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID
分子名称: CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ...
著者Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
登録日1999-07-20
公開日1999-07-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding.
J.Med.Chem., 42, 1999
4PQP
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BU of 4pqp by Molmil
Crystal structure of human SNX14 PX domain in space group P43212
分子名称: GLYCEROL, Sorting nexin-14
著者Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
登録日2014-03-03
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
4P2A
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BU of 4p2a by Molmil
Structure of mouse VPS26A bound to rat SNX27 PDZ domain
分子名称: MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A
著者Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B.
登録日2014-03-03
公開日2014-09-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A unique PDZ domain and arrestin-like fold interaction reveals mechanistic details of endocytic recycling by SNX27-retromer.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PQO
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BU of 4pqo by Molmil
Structure of the human SNX14 PX domain in space group I41
分子名称: Sorting nexin-14
著者Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
登録日2014-03-03
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
1QD8
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BU of 1qd8 by Molmil
COMPLEX OF VANCOMYCIN WITH N-ACETYL GLYCINE
分子名称: ACETYLAMINO-ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ...
著者Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
登録日1999-07-15
公開日1999-08-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
2BDN
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BU of 2bdn by Molmil
Crystal structure of human MCP-1 bound to a blocking antibody, 11K2
分子名称: Antibody heavy chain 11K2, Antibody light chain 11K2, Small inducible cytokine A2
著者Boriack-Sjodin, P.A, Rushe, M, Reid, C, Jarpe, M, van Vlijmen, H, Bailly, V.
登録日2005-10-20
公開日2006-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure activity relationships of monocyte chemoattractant proteins in complex with a blocking antibody.
Protein Eng.Des.Sel., 19, 2006
2FTS
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BU of 2fts by Molmil
Crystal structure of the glycine receptor-gephyrin complex
分子名称: Glycine receptor beta chain precursor, gephyrin
著者Kim, E.Y, Schindelin, H.
登録日2006-01-24
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Deciphering the structural framework of glycine receptor anchoring by gephyrin.
Embo J., 25, 2006
8PPP
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BU of 8ppp by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase
著者Tang, Q, Grogan, G.
登録日2023-07-07
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYX
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BU of 8pyx by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with Adenosine
分子名称: ADENOSINE, Fatty-acyl-CoA synthase, SULFATE ION
著者Tang, Q, Grogan, G.
登録日2023-07-26
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYY
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BU of 8pyy by Molmil
Amide bond synthetase from Streptomyces hindustanus in open conformation
分子名称: Fatty-acyl-CoA synthase, SULFATE ION
著者Tang, Q, Grogan, G.
登録日2023-07-26
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
3NAX
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BU of 3nax by Molmil
PDK1 in complex with inhibitor MP7
分子名称: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
3NAY
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BU of 3nay by Molmil
PDK1 in complex with inhibitor MP6
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
4N56
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BU of 4n56 by Molmil
Binary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA
分子名称: 5'-D(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3', DNA polymerase I, ...
著者Wu, E.Y.
登録日2013-10-09
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4N5S
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BU of 4n5s by Molmil
Ternary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA and ddCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', ...
著者Wu, E.Y.
登録日2013-10-10
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4I6O
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BU of 4i6o by Molmil
Crystal structure of chemically synthesized human anaphylatoxin C3a
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Complement C3
著者Wang, C.I.A, Ghassemian, A, Collins, B, Lewis, R.J, Alewood, P.F, Durek, T.
登録日2012-11-29
公開日2013-02-27
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Efficient chemical synthesis of human complement protein C3a.
Chem.Commun.(Camb.), 49, 2013
1R9M
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BU of 1r9m by Molmil
Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution.
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, Dipeptidyl peptidase IV, ...
著者Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.C, Skene, R.J, Webb, D.R, Prasad, G.S.
登録日2003-10-30
公開日2004-06-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004
1R9N
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BU of 1r9n by Molmil
Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution
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, Dipeptidyl peptidase IV, ...
著者Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.-C, Skene, R, Webb, D.R, Prasad, G.S.
登録日2003-10-30
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004

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