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7FUR
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BU of 7fur by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
分子名称: 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ...
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
1XRF
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BU of 1xrf by Molmil
The Crystal Structure of a Novel, Latent Dihydroorotase from Aquifex aeolicus at 1.7 A resolution
分子名称: Dihydroorotase, SULFATE ION, ZINC ION
著者Martin, P.D, Purcarea, C, Zhang, P, Vaishnav, A, Sadecki, S, Guy-Evans, H.I, Evans, D.R, Edwards, B.F.
登録日2004-10-14
公開日2005-07-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of a novel, latent dihydroorotase from Aquifex aeolicus at 1.7A resolution
J.Mol.Biol., 348, 2005
4PLB
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BU of 4plb by Molmil
Crystal Structure of S.A. gyrase-AM8191 complex
分子名称: 6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Chimera protein of DNA gyrase subunits B and A, DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Lu, J, Patel, S, Soisson, S.
登録日2014-05-16
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad spectrum antibacterial agents.
Acs Med.Chem.Lett., 5, 2014
2WOR
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BU of 2wor by Molmil
co-structure of S100A7 with 1,8 ANS
分子名称: 8-ANILINO-1-NAPHTHALENE SULFONATE, CALCIUM ION, PROTEIN S100-A7, ...
著者Leon, R, Hof, F, Boulanger, M.J.
登録日2009-07-27
公開日2009-10-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways.
Biochemistry, 48, 2009
7C9I
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BU of 7c9i by Molmil
Human gamma-secretase in complex with small molecule L-685,458
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y.
登録日2020-06-05
公開日2021-01-27
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
1HUN
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BU of 1hun by Molmil
SOLUTION STRUCTURE OF THE CHEMOKINE HMIP-1BETA(SLASH)ACT-2 BY MULTI-DIMENSIONAL NMR: A NOVEL CHEMOKINE DIMER
分子名称: HUMAN MACROPHAGE INFLAMMATORY PROTEIN 1 BETA
著者Clore, G.M, Lodi, P.J, Garrett, D.S, Gronenborn, A.M.
登録日1994-01-31
公開日1994-04-30
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the beta chemokine hMIP-1 beta by multidimensional NMR.
Science, 263, 1994
3H7R
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BU of 3h7r by Molmil
Crystal structure of the plant stress-response enzyme AKR4C8
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase, ...
著者White, S.A, Simpson, P.J, Ride, J.P.
登録日2009-04-28
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress.
J.Mol.Biol., 392, 2009
1TGS
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BU of 1tgs by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION
分子名称: CALCIUM ION, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE), SULFATE ION, ...
著者Bolognesi, M, Gatti, G, Menegatti, E, Guarneri, M, Marquart, M, Papamokos, E, Huber, R.
登録日1982-09-27
公開日1983-01-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of the complex between pancreatic secretory trypsin inhibitor (Kazal type) and trypsinogen at 1.8 A resolution. Structure solution, crystallographic refinement and preliminary structural interpretation.
J.Mol.Biol., 162, 1982
2C59
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BU of 2c59 by Molmil
gdp-mannose-3', 5' -epimerase (arabidopsis thaliana), with gdp-alpha-d-mannose and gdp-beta-l-galactose bound in the active site.
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GDP-MANNOSE-3', ...
著者Major, L.L, Wolucka, B.A, Naismith, J.H.
登録日2005-10-26
公開日2005-11-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of Gdp-Mannose-3',5'-Epimerase: An Enzyme which Performs Three Chemical Reactions at the Same Active Site.
J.Am.Chem.Soc., 127, 2005
4AS2
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BU of 4as2 by Molmil
Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic form
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, IODIDE ION, ...
著者Infantes, L, Otero, L.H, Albert, A.
登録日2012-04-27
公開日2012-08-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The Structural Domains of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase Cooperate in Substrate Hydrolysis: 3D Structure and Enzymatic Mechanism.
J.Mol.Biol., 423, 2012
1HXW
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BU of 1hxw by Molmil
HIV-1 PROTEASE DIMER COMPLEXED WITH A-84538
分子名称: HIV-1 PROTEASE, RITONAVIR
著者Park, C.H, Nienaber, V, Kong, X.P.
登録日1997-01-24
公開日1998-02-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans.
Proc.Natl.Acad.Sci.USA, 92, 1995
1TRY
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BU of 1try by Molmil
STRUCTURE OF INHIBITED TRYPSIN FROM FUSARIUM OXYSPORUM AT 1.55 ANGSTROMS
分子名称: ISOPROPYL ALCOHOL, PHOSPHORYLISOPROPANE, TRYPSIN
著者Rypniewski, W.R, Dambmann, C, Von Der Osten, C, Dauter, M, Wilson, K.S.
登録日1994-03-07
公開日1996-01-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of inhibited trypsin from Fusarium oxysporum at 1.55 A.
Acta Crystallogr.,Sect.D, 51, 1995
5KZX
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BU of 5kzx by Molmil
Crystal structure of human GAA
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Deming, D.T, Garman, S.C.
登録日2016-07-25
公開日2017-07-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of human GAA: structural basis of Pompe disease
To be published
1XIF
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BU of 1xif by Molmil
MODES OF BINDING SUBSTRATES AND THEIR ANALOGUES TO THE ENZYME D-XYLOSE ISOMERASE
分子名称: D-XYLOSE ISOMERASE, MANGANESE (II) ION, alpha-D-glucopyranose
著者Carrell, H.L, Glusker, J.P.
登録日1994-03-07
公開日1994-06-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Modes of binding substrates and their analogues to the enzyme D-xylose isomerase.
Acta Crystallogr.,Sect.D, 50, 1994
3ZSO
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BU of 3zso by Molmil
Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based design
分子名称: 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Deadman, J.J, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L.
登録日2011-06-30
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
2BFH
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BU of 2bfh by Molmil
CRYSTAL STRUCTURE OF BASIC FIBROBLAST GROWTH FACTOR AT 1.6 ANGSTROMS RESOLUTION
分子名称: BASIC FIBROBLAST GROWTH FACTOR
著者Kitagawa, Y, Ago, H, Katsube, Y, Fujishima, A, Matsuura, Y.
登録日1993-08-31
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of basic fibroblast growth factor at 1.6 A resolution.
J.Biochem.(Tokyo), 110, 1991
7VN5
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BU of 7vn5 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning TTCACGTGAA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
著者Nosaki, S, Tanokura, M, Miyakawa, T.
登録日2021-10-10
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
3OMK
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BU of 3omk by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
分子名称: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
著者Rudolph, M.G.
登録日2010-08-27
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
6LDT
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BU of 6ldt by Molmil
K245A mutant of L-tyrosine decarboxylase from Methanocaldococcus jannaschii complexed with a post-decarboxylation quinonoid-like intermediate formed with L-tyrosine
分子名称: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, SULFATE ION, ...
著者Manoj, N, Chellam Gayathri, S.
登録日2019-11-23
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural insights into the mechanism of internal aldimine formation and catalytic loop dynamics in an archaeal Group II decarboxylase.
J.Struct.Biol., 208, 2019
2R4T
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BU of 2r4t by Molmil
Crystal Structure of Wild-type E.coli GS in Complex with ADP and Glucose(wtGSc)
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sheng, F, Geiger, J.
登録日2007-09-01
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.258 Å)
主引用文献The crystal structures of the open and catalytically competent closed conformation of Escherichia coli glycogen synthase.
J.Biol.Chem., 284, 2009
1TRN
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BU of 1trn by Molmil
CRYSTAL STRUCTURE OF HUMAN TRYPSIN 1: UNEXPECTED PHOSPHORYLATION OF TYROSINE 151
分子名称: PHOSPHORYLISOPROPANE, TRYPSIN
著者Gaboriaud, C, Fontecilla-Camps, J.C.
登録日1995-03-16
公開日1995-06-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human trypsin 1: unexpected phosphorylation of Tyr151.
J.Mol.Biol., 259, 1996
4I7I
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Crystal structure of rabbit ryanodine receptor 1 (residues 1-536) disease mutant L14R
分子名称: GLYCEROL, Ryanodine receptor 1
著者Kimlicka, L, Van Petegem, F.
登録日2012-11-30
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Disease mutations in the ryanodine receptor N-terminal region couple to a mobile intersubunit interface.
Nat Commun, 4, 2013
4I0Y
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CRYSTAL STRUCTURE OF RABBIT RYANODINE RECEPTOR 1 (RESIDUES 1-536) DISEASE MUTANT C36R
分子名称: GLYCEROL, Ryanodine receptor 1
著者Van Petegem, F, Kimlicka, L.
登録日2012-11-19
公開日2013-02-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Disease mutations in the ryanodine receptor N-terminal region couple to a mobile intersubunit interface.
Nat Commun, 4, 2013
4NZG
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Crystal Structure of the N-terminal domain of Moloney murine leukemia virus integrase, Northeast Structural Genomics Consortium Target OR3
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Integrase p46, ...
著者Guan, R, Jiang, M, Janjua, H, Maglaqui, M, Zhao, L, Xiao, R, Acton, T.B, Everett, J.K, Roth, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-12-12
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献X-ray crystal structure of the N-terminal region of Moloney murine leukemia virus integrase and its implications for viral DNA recognition.
Proteins, 85, 2017
2USN
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-141803
分子名称: CALCIUM ION, STROMELYSIN-1, ZINC ION, ...
著者Finzel, B.C, Bryant Junior, G.L, Baldwin, E.T.
登録日1998-06-09
公開日1998-12-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998

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