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4U6S
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BU of 4u6s by Molmil
CtBP1 in complex with substrate phenylpyruvate
分子名称: 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ...
著者Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
登録日2014-07-29
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4U6Q
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BU of 4u6q by Molmil
CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
分子名称: (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
著者Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
登録日2014-07-29
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
5W87
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BU of 5w87 by Molmil
Crystal structure of the C-terminal lobe of the human HERC6 HECT domain
分子名称: PHOSPHATE ION, Probable E3 ubiquitin-protein ligase HERC6
著者WANG, Y, BELLESIS, A.G, ROYER, W.E, SPRATT, D.E.
登録日2017-06-21
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Crystal structure of the C-terminal lobe of the human HERC6 HECT domain
To Be Published
7Z6U
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BU of 7z6u by Molmil
Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2022-03-14
公開日2023-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
8AFR
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BU of 8afr by Molmil
Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide
分子名称: 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2022-07-18
公開日2023-02-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
2JV7
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BU of 2jv7 by Molmil
NMR Solution Structure of Histoplasma capsulatum CBP Homodimer
分子名称: Calcium-binding protein
著者Beck, M.R, DeKoster, G.T, Cistola, D.P, Goldman, W.E.
登録日2007-09-12
公開日2008-09-23
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献NMR structure of a fungal virulence factor reveals structural homology with mammalian saposin B.
Mol.Microbiol., 72, 2009
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
著者Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
登録日2016-06-09
公開日2017-05-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
5JRM
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BU of 5jrm by Molmil
Crystal Structure of a Xylanase at 1.56 Angstroem resolution
分子名称: Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION
著者Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
登録日2016-05-06
公開日2017-05-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and functional characterization of a highly stable endo-beta-1,4-xylanase from Fusarium oxysporum and its development as an efficient immobilized biocatalyst.
Biotechnol Biofuels, 9, 2016
1HBI
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BU of 1hbi by Molmil
CRYSTAL STRUCTURE OF OXYGENATED SCAPHARCA DIMERIC HEMOGLOBIN AT 1.7 ANGSTROMS RESOLUTION
分子名称: HEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Royer Junior, W.E, Condon, P.J.
登録日1994-06-22
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of oxygenated Scapharca dimeric hemoglobin at 1.7-A resolution.
J.Biol.Chem., 269, 1994
1JWN
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BU of 1jwn by Molmil
Crystal Structure of Scapharca inaequivalvis HbI, I114F Mutant Ligated to Carbon Monoxide.
分子名称: CARBON MONOXIDE, Globin I - Ark Shell, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E.
登録日2001-09-04
公開日2001-12-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Restricting the ligand-linked heme movement in Scapharca dimeric hemoglobin reveals tight coupling between distal and proximal contributions to cooperativity.
Biochemistry, 40, 2001
2AV3
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BU of 2av3 by Molmil
F97L- no ligand
分子名称: Globin I, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E.
登録日2005-08-29
公開日2006-03-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
2AV0
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BU of 2av0 by Molmil
F97L with CO bound
分子名称: CARBON MONOXIDE, Globin I, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E.
登録日2005-08-29
公開日2006-03-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
1JZM
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BU of 1jzm by Molmil
Crystal Structure of Scapharca inaequivalvis HbI, I114M Mutant in the Absence of ligand.
分子名称: GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E.
登録日2001-09-16
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal Contributions to Cooperativity.
Biochemistry, 40, 2001
1JZK
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BU of 1jzk by Molmil
Crystal Structure of Scapharca inaequivalvis HbI, I114F mutant (deoxy)
分子名称: GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E.
登録日2001-09-16
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal Contributions to Cooperativity.
Biochemistry, 40, 2001
1BD2
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BU of 1bd2 by Molmil
COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201
分子名称: BETA-2 MICROGLOBULIN, HLA-A 0201, T CELL RECEPTOR ALPHA, ...
著者Ding, Y.-H, Smith, K.J, Garboczi, D.N, Utz, U, Biddison, W.E, Wiley, D.C.
登録日1998-05-12
公開日1998-08-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids.
Immunity, 8, 1998
1AO7
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BU of 1ao7 by Molmil
COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201
分子名称: BETA-2 MICROGLOBULIN, ETHYL MERCURY ION, HLA-A 0201, ...
著者Garboczi, D.N, Ghosh, P, Utz, U, Fan, Q.R, Biddison, W.E, Wiley, D.C.
登録日1997-07-21
公開日1997-09-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the complex between human T-cell receptor, viral peptide and HLA-A2.
Nature, 384, 1996
1JZL
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BU of 1jzl by Molmil
Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide.
分子名称: CARBON MONOXIDE, GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E.
登録日2001-09-16
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal Contributions to Cooperativity.
Biochemistry, 40, 2001
6V8A
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BU of 6v8a by Molmil
Human CtBP1 (28-375) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
著者Royer, W.E.
登録日2019-12-10
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
6V89
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BU of 6v89 by Molmil
Human CtBP1 (28-375) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
著者Royer, W.E.
登録日2019-12-10
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
4ZFB
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BU of 4zfb by Molmil
Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid
分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZFA
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Cytochrome P450 wild type from BM3 with bound PEG
分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.765 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZF6
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Cytochrome P450 pentamutant from BM3 with bound PEG
分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.773 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZF8
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Cytochrome P450 pentamutant from BM3 with bound Metyrapone
分子名称: Bifunctional P-450/NADPH-P450 reductase, METYRAPONE, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.766 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4HRR
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BU of 4hrr by Molmil
Scapharca tetrameric hemoglobin, CO-state
分子名称: CARBON MONOXIDE, Globin-2 A chain, Hemoglobin B chain, ...
著者Royer, W.E.
登録日2012-10-28
公開日2013-03-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis.
Biochemistry, 52, 2013
4YDG
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BU of 4ydg by Molmil
Crystal structure of compound 10 in complex with HTLV-1 Protease
分子名称: HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION
著者Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
登録日2015-02-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015

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件を2025-07-09に公開中

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