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2FSZ
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BU of 2fsz by Molmil
A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor beta
Authors:Wang, Y.
Deposit date:2006-01-23
Release date:2006-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
Proc.Natl.Acad.Sci.Usa, 103, 2006
3TDU
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BU of 3tdu by Molmil
N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex: Structure of a human Cul1WHB-Dcn1P-acetylated Ubc12N complex
Descriptor: Cullin-1, DCN1-like protein 1, NEDD8-conjugating enzyme Ubc12
Authors:Scott, D.C, Monda, J.K, Bennett, E.J, Harper, J.W, Schulman, B.A.
Deposit date:2011-08-11
Release date:2011-10-12
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex.
Science, 334, 2011
2ZLA
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BU of 2zla by Molmil
2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure
Descriptor: (1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor
Authors:Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure
Bioorg.Med.Chem., 16, 2008
1ZKC
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BU of 1zkc by Molmil
Crystal Structure of the cyclophiln_RING domain of human peptidylprolyl isomerase (cyclophilin)-like 2 isoform b
Descriptor: BETA-MERCAPTOETHANOL, Peptidyl-prolyl cis-trans isomerase like 2
Authors:Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-05-02
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
1MRG
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BU of 1mrg by Molmil
STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS
Descriptor: ADENOSINE, ALPHA-MOMORCHARIN
Authors:Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y.
Deposit date:1994-07-01
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins.
Biochem.J., 309, 1995
1Q3K
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BU of 1q3k by Molmil
Crystal structure of creatinine amidohydrolase (creatininase)
Descriptor: GLYCEROL, ZINC ION, creatininase
Authors:Beuth, B, Niefind, K, Schomburg, D.
Deposit date:2003-07-30
Release date:2003-08-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of creatininase from Pseudomonas putida: A novel fold and a case of convergent evolution
J.Mol.Biol., 332, 2003
6VCT
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BU of 6vct by Molmil
Mucor circinelloides FKBP12 protein bound with APX879 in C2221 space group
Descriptor: N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidylprolyl isomerase
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
3ZO1
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BU of 3zo1 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
6MIU
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BU of 6miu by Molmil
Crystal structure of p62 ZZ domain in complex with Arg-Glu peptide
Descriptor: Sequestosome-1, Arg-Glu peptide chimera, ZINC ION
Authors:Ahn, J, Zhang, Y, Kutateladze, T.G.
Deposit date:2018-09-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Nat Commun, 9, 2018
5V58
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BU of 5v58 by Molmil
Crystal structure of human prolyl-tRNA synthetase in complex with Aze-SA
Descriptor: 5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine, Bifunctional glutamate/proline--tRNA ligase, ZINC ION
Authors:Zhou, H, Song, Y, Schimmel, P.
Deposit date:2017-03-13
Release date:2018-01-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Double mimicry evades tRNA synthetase editing by toxic vegetable-sourced non-proteinogenic amino acid.
Nat Commun, 8, 2017
5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
2ZL9
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BU of 2zl9 by Molmil
2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure
Descriptor: (1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor
Authors:Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure
Bioorg.Med.Chem., 16, 2008
2JCK
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BU of 2jck by Molmil
Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in complex with UDP and 2 manganese ion
Descriptor: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE
Authors:Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K.
Deposit date:2006-12-26
Release date:2007-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
2JCJ
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BU of 2jcj by Molmil
Crystal structure of alpha-1,3 Galactosyltransferase (C-terminus truncated mutant-C3) in complex with UDP and Tris
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K.
Deposit date:2006-12-25
Release date:2007-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
3EO9
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BU of 3eo9 by Molmil
Crystal structure the Fab fragment of Efalizumab
Descriptor: Efalizumab Fab fragment, heavy chain, light chain
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
4RQT
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BU of 4rqt by Molmil
Alcohol Dehydrogenase Crystal Structure
Descriptor: ACETIC ACID, Alcohol dehydrogenase class-P, SULFATE ION, ...
Authors:Xu, Y.W.
Deposit date:2014-11-05
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insight into the conformational change of alcohol dehydrogenase from arabidopsis Thalianal during coenzyme binding.
Biochimie, 108C, 2014
1DJH
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BU of 1djh by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH BARIUM
Descriptor: ACETATE ION, BARIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-09-25
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
4LML
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BU of 4lml by Molmil
GLIC double mutant I9'A T25'A
Descriptor: Proton-gated ion channel
Authors:Grosman, C, Gonzalez-Gutierrez, G.
Deposit date:2013-07-10
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Gating of the proton-gated ion channel from Gloeobacter violaceus at pH 4 as revealed by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 110, 2013
1ARX
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BU of 1arx by Molmil
CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
Authors:Fukuyama, K, Kunishima, N, Amada, F.
Deposit date:1995-04-25
Release date:1996-01-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis.
J.Biol.Chem., 270, 1995
1ARY
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BU of 1ary by Molmil
CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
Authors:Fukuyama, K, Kunishima, N, Amada, F.
Deposit date:1995-04-25
Release date:1996-01-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis.
J.Biol.Chem., 270, 1995
4QY3
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BU of 4qy3 by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID
Descriptor: 2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2014-07-23
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Out of the active site binding pocket for carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 51, 2014
3F10
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BU of 3f10 by Molmil
Crystal structure of Clostridium Acetobutylicum 8-oxoguanine DNA glycosylase in complex with 8-oxoguanosine
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXY-8-OXOGUANOSINE, 8-oxoguanine-DNA-glycosylase
Authors:Faucher, F, Doublie, S.
Deposit date:2008-10-27
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase in its apo form and in complex with 8-oxodeoxyguanosine.
J.Mol.Biol., 387, 2009
1DV1
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BU of 1dv1 by Molmil
STRUCTURE OF BIOTIN CARBOXYLASE (APO)
Descriptor: BIOTIN CARBOXYLASE, PHOSPHATE ION
Authors:Thoden, J.B, Blanchard, C.Z, Holden, H.M, Waldrop, G.L.
Deposit date:2000-01-19
Release date:2000-06-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Movement of the biotin carboxylase B-domain as a result of ATP binding.
J.Biol.Chem., 275, 2000
4C34
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BU of 4c34 by Molmil
PKA-S6K1 Chimera with Staurosporine bound
Descriptor: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, GLYCEROL, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
1DJG
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BU of 1djg by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH LANTHANUM
Descriptor: ACETATE ION, LANTHANUM (III) ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-09-25
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997

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