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PDB: 34568 件

4LWC
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Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-26
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4HJX
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Crystal structure of F2YRS complexed with F2Y
分子名称: 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase
著者Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
登録日2012-10-14
公開日2013-03-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
3F7I
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Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
著者Franklin, M.C, Fairbrother, W.J, Cohen, F.
登録日2008-11-09
公開日2009-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
1NKZ
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Crystal structure of LH2 B800-850 from Rps. acidophila at 2.0 Angstrom resolution
分子名称: BACTERIOCHLOROPHYLL A, BENZAMIDINE, Light-harvesting protein B-800/850, ...
著者Papiz, M.Z, Prince, S.M, Howard, T, Cogdell, R.J, Isaacs, N.W.
登録日2003-01-06
公開日2003-02-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure and thermal motion of the B800-850 LH2 complex from Rps. acidophila at 2.0 A resolution and 100K : new structural features and functionally relevant motions.
J.Mol.Biol., 326, 2003
3FAL
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humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
分子名称: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
著者Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
登録日2008-11-17
公開日2009-04-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
1JME
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BU of 1jme by Molmil
Crystal Structure of Phe393His Cytochrome P450 BM3
分子名称: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE
著者Ost, T.W.B, Munro, A.W, Mowat, C.G, Pesseguiero, A, Fulco, A.J, Cho, A.K, Cheesman, M.A, Walkinshaw, M.D, Chapman, S.K.
登録日2001-07-18
公開日2001-11-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and spectroscopic analysis of the F393H mutant of flavocytochrome P450 BM3.
Biochemistry, 40, 2001
3FEH
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Crystal structure of full length centaurin alpha-1
分子名称: Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION
著者Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-11-29
公開日2008-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IO7
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2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
分子名称: (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
登録日2009-08-13
公開日2009-11-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
3FFC
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Crystal Structure of CF34 TCR in complex with HLA-B8/FLR
分子名称: Beta-2-microglobulin, CADMIUM ION, CF34 alpha chain, ...
著者Gras, S, Burrows, S.R, Kjer-Nielsen, L, Clements, C.S, Liu, Y.C, Sullivan, L.C, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J.
登録日2008-12-03
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The shaping of T cell receptor recognition by self-tolerance.
Immunity, 30, 2009
8I79
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BU of 8i79 by Molmil
Cryo-EM structure of KCTD7 in complex with Cullin3
分子名称: BTB/POZ domain-containing protein KCTD7, Cullin-3
著者Jiang, W, Wang, W, Zheng, S.
登録日2023-01-31
公開日2023-07-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
4M9Y
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Crystal structure of CED-4 bound CED-3 fragment
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ...
著者Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G.
登録日2013-08-15
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
5ELZ
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Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
著者Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC)
登録日2015-11-05
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
1NIF
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BU of 1nif by Molmil
THE STRUCTURE OF CU-NITRITE REDUCTASE FROM ACHROMOBACTER CYCLOCLASTES AT FIVE PH VALUES, WITH NITRITE BOUND AND WITH TYPE II CU DEPLETED
分子名称: COPPER (II) ION, NITRITE REDUCTASE
著者Adman, E.T, Godden, J.W, Turley, S.
登録日1995-07-03
公開日1995-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of copper-nitrite reductase from Achromobacter cycloclastes at five pH values, with NO2- bound and with type II copper depleted.
J.Biol.Chem., 270, 1995
1NIB
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BU of 1nib by Molmil
THE STRUCTURE OF CU-NITRITE REDUCTASE FROM ACHROMOBACTER CYCLOCLASTES AT FIVE PH VALUES, WITH NITRITE BOUND AND WITH TYPE II CU DEPLETED
分子名称: COPPER (II) ION, NITRITE REDUCTASE
著者Adman, E.T, Godden, J.W, Turley, S.
登録日1995-07-03
公開日1995-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of copper-nitrite reductase from Achromobacter cycloclastes at five pH values, with NO2- bound and with type II copper depleted.
J.Biol.Chem., 270, 1995
4MHA
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BU of 4mha by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817
分子名称: 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
3IIY
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Crystal structure of Eed in complex with a trimethylated histone H1K26 peptide
分子名称: Histone H1K26 peptide, Polycomb protein EED
著者Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
登録日2009-08-03
公開日2009-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
4LUZ
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Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
1K18
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Minimized Average NMR Structure of the Zinc Finger Domain of Human DNA Polymerase-alpha
分子名称: DNA POLYMERASE ALPHA CATALYTIC SUBUNIT
著者Evanics, F, Maurmann, L, Yang, W.W, Bose, R.N.
登録日2001-09-24
公開日2003-06-24
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structures of the zinc finger domain of human DNA polymerase-alpha.
Biochim.Biophys.Acta, 1651, 2003
4LVA
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Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
1NCJ
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N-CADHERIN, TWO-DOMAIN FRAGMENT
分子名称: CALCIUM ION, PROTEIN (N-CADHERIN), URANYL (VI) ION
著者Tamura, K, Shan, W.-S, Hendrickson, W.A, Colman, D.R, Shapiro, L.
登録日1999-02-02
公開日1999-03-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure-function analysis of cell adhesion by neural (N-) cadherin.
Neuron, 20, 1998
4QDQ
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Physical basis for Nrp2 ligand binding
分子名称: GLYCEROL, Neuropilin-2, SULFATE ION
著者Parker, M.W, Vander Kooi, C.W.
登録日2014-05-14
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for VEGF-C Binding to Neuropilin-2 and Sequestration by a Soluble Splice Form.
Structure, 23, 2015
5YOF
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Crystal structure of zika virus NS3 protease in complex with a dipeptide inhibitor
分子名称: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, NS2B cofactor, NS3 Protease
著者Phoo, W.W, Zhang, Z.Z.
登録日2017-10-27
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
4PXZ
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Crystal structure of P2Y12 receptor in complex with 2MeSADP
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ...
著者Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
登録日2014-03-25
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
7OHF
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Cryo-EM structure of pyrococcus furiosus apoferritin in nanofluidic channels
分子名称: Ferritin
著者Huber, S.T, Sarajlic, E, Huijink, R, Evers, W.H, Jakobi, A.J.
登録日2021-05-10
公開日2021-08-11
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Nanofluidic chips for cryo-EM structure determination from picoliter sample volumes.
Elife, 11, 2022
7O0A
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Bdellovibrio bacteriovorus PGI in P1211 spacegroup
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glucose-6-phosphate isomerase
著者Meek, R.W, Lovering, A.L.
登録日2021-03-26
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding.
Open Biology, 11, 2021

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