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2OHX
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BU of 2ohx by Molmil
REFINED CRYSTAL STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE-NADH COMPLEX AT 1.8 ANGSTROMS RESOLUTION
分子名称: ALCOHOL DEHYDROGENASE, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Al-Karadaghi, S, Cedergren-Zeppezauer, E.S.
登録日1993-08-24
公開日1993-10-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined crystal structure of liver alcohol dehydrogenase-NADH complex at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
1HET
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atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S.
登録日2000-11-25
公開日2001-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
2OXI
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REFINED CRYSTAL STRUCTURE OF CU-SUBSTITUTED ALCOHOL DEHYDROGENASE AT 2.1 ANGSTROMS RESOLUTION
分子名称: ALCOHOL DEHYDROGENASE, COPPER (II) ION, DIMETHYL SULFOXIDE, ...
著者Al-Karadaghi, S, Cedergren-Zeppezauer, E.S.
登録日1993-11-08
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refined structure of Cu-substituted alcohol dehydrogenase at 2.1 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
1AXE
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BU of 1axe by Molmil
CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL
分子名称: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者Colby, T.D, Chin, J.K, Goldstein, B.M.
登録日1997-10-15
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
1HEU
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BU of 1heu by Molmil
ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, ...
著者Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S.
登録日2000-11-26
公開日2001-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
1HF3
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ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, ...
著者Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S.
登録日2000-11-27
公開日2001-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
1EE2
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BU of 1ee2 by Molmil
THE STRUCTURE OF STEROID-ACTIVE ALCOHOL DEHYDROGENASE AT 1.54 A RESOLUTION
分子名称: ALCOHOL DEHYDROGENASE, CHOLIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Adolph, H.W.
登録日2000-01-30
公開日2000-10-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis for substrate specificity differences of horse liver alcohol dehydrogenase isozymes.
Biochemistry, 39, 2000
7PCD
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BU of 7pcd by Molmil
HER2 IN COMPLEX WITH A COVALENT INHIBITOR
分子名称: 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2
著者Bader, G.
登録日2021-08-03
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.
Nat Cancer, 3, 2022
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
著者Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
登録日2018-09-22
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
6TW3
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HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera
分子名称: (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION
著者Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW4
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HumRadA22F in complex with compound 6
分子名称: CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
著者Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW9
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HumRadA22F in complex with CAM833
分子名称: CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ...
著者Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TV3
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BU of 6tv3 by Molmil
HumRadA1 in complex with 3-amino-2-naphthoic acid
分子名称: 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ...
著者Marsh, M.E, Hyvonen, M.
登録日2020-01-08
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
分子名称: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-01-28
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
分子名称: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX7
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BU of 6tx7 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX5
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
分子名称: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6XTW
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HumRadA33F in complex with peptidic inhibitor 6
分子名称: DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
著者Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6Z86
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human GTP cyclohydrolase I in complex with 7-deaza-GTP
分子名称: 7-deaza-GTP, GTP cyclohydrolase 1, ZINC ION
著者Ebenhoch, R, Nar, H.
登録日2020-06-02
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Z88
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human GTP cyclohydrolase I in complex with allosteric inhibitor
分子名称: 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione, GTP cyclohydrolase 1, ZINC ION
著者Ebenhoch, R, Nar, H.
登録日2020-06-02
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.687 Å)
主引用文献A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Z89
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human GTP cyclohydrolase I in complex with allosteric inhibitor
分子名称: 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione, GTP cyclohydrolase 1, ZINC ION
著者Ebenhoch, R, Nar, H.
登録日2020-06-02
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.366 Å)
主引用文献A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
1QBO
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BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
分子名称: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
著者Whitlow, M.
登録日1999-04-26
公開日2000-05-03
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
5I4Z
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Structure of apo OmoMYC
分子名称: CHLORIDE ION, GLYCEROL, Myc proto-oncogene protein, ...
著者Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C.
登録日2016-02-13
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
5I50
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Structure of OmoMYC bound to double-stranded DNA
分子名称: DNA (5'-D(P*CP*AP*CP*CP*CP*GP*GP*TP*CP*AP*CP*GP*TP*GP*GP*CP*CP*TP*AP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*GP*GP*CP*CP*AP*CP*GP*TP*GP*AP*CP*CP*GP*GP*GP*TP*G)-3'), Myc proto-oncogene protein
著者Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C.
登録日2016-02-13
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
6FIB
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Structure of human 4-1BB ligand
分子名称: Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein
著者Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J.
登録日2018-01-17
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019

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