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7KKO
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BU of 7kko by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKM
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BU of 7kkm by Molmil
Structure of the catalytic domain of tankyrase 1
分子名称: Poly [ADP-ribose] polymerase, ZINC ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKN
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BU of 7kkn by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with talazoparib
分子名称: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Poly [ADP-ribose] polymerase, ...
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KK4
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BU of 7kk4 by Molmil
Structure of the catalytic domain of PARP1 in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KK3
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BU of 7kk3 by Molmil
Structure of the catalytic domain of PARP1 in complex with talazoparib
分子名称: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, Poly [ADP-ribose] polymerase 1
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-05
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-06
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
1HRM
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BU of 1hrm by Molmil
THE PROXIMAL LIGAND VARIANT HIS93TYR OF HORSE HEART MYOGLOBIN
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Burk, D.L, Brayer, G.D.
登録日1994-09-21
公開日1995-01-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The proximal ligand variant His93Tyr of horse heart myoglobin.
Biochemistry, 34, 1995
5UQ9
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BU of 5uq9 by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
著者Leonard, P.G.
登録日2017-02-07
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
2X98
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BU of 2x98 by Molmil
H.SALINARUM ALKALINE PHOSPHATASE
分子名称: ALKALINE PHOSPHATASE, CHLORIDE ION, MAGNESIUM ION, ...
著者Wende, A, Johansson, P, Grininger, M, Oesterhelt, D.
登録日2010-03-14
公開日2010-05-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Biochemical Characterization of a Halophilic Archaeal Alkaline Phosphatase.
J.Mol.Biol., 400, 2010
1YMA
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BU of 1yma by Molmil
STRUCTURAL CHARACTERIZATION OF HEME LIGATION IN THE HIS64-->TYR VARIANT OF MYOGLOBIN
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Maurus, R, Brayer, G.D.
登録日1993-09-27
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of heme ligation in the His64-->Tyr variant of myoglobin.
J.Biol.Chem., 269, 1994
2NTA
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BU of 2nta by Molmil
Crystal Structure of PTP1B-inhibitor Complex
分子名称: 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W, Follows, B.
登録日2006-11-07
公開日2007-04-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing acid replacements of thiophene PTP1B inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2NT7
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BU of 2nt7 by Molmil
Crystal structure of PTP1B-inhibitor complex
分子名称: Tyrosine-protein phosphatase non-receptor type 1, {[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID
著者Xu, W, Follows, B.
登録日2006-11-07
公開日2007-04-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing acid replacements of thiophene PTP1B inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
5T8F
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BU of 5t8f by Molmil
p110delta/p85alpha with taselisib (GDC-0032)
分子名称: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Moertl, M, Steinbacher, S, Eigenbrot, C.
登録日2016-09-07
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
2G7B
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BU of 2g7b by Molmil
Crystal Structure of the R132K:R111L:L121E mutant of Cellular Retinoic Acid Binding Protein Type II In Complex With All-Trans-Retinal At 1.18 Angstroms Resolution
分子名称: ALL-TRANS AXEROPHTHENE, Cellular retinoic acid-binding protein 2, SODIUM ION
著者Vaezeslami, S, Geiger, J.H.
登録日2006-02-27
公開日2007-04-17
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Protein design: reengineering cellular retinoic acid binding protein II into a rhodopsin protein mimic.
J.Am.Chem.Soc., 129, 2007
2G78
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BU of 2g78 by Molmil
Crystal Structure of the R132K:Y134F Mutant of Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans-Retinoic Acid at 1.70 Angstroms Resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINOIC ACID, SODIUM ION
著者Vaezeslami, S, Geiger, J.H.
登録日2006-02-27
公開日2007-04-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein design: reengineering cellular retinoic acid binding protein II into a rhodopsin protein mimic.
J.Am.Chem.Soc., 129, 2007
2G79
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BU of 2g79 by Molmil
Crystal Structure of the R132K:Y134F Mutant of Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans-Retinal at 1.69 Angstroms Resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINAL, SODIUM ION, ...
著者Vaezeslami, S, Geiger, J.H.
登録日2006-02-27
公開日2007-04-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Protein design: reengineering cellular retinoic acid binding protein II into a rhodopsin protein mimic.
J.Am.Chem.Soc., 129, 2007
1CIF
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BU of 1cif by Molmil
STRUCTURAL AND FUNCTIONAL EFFECTS OF MULTIPLE MUTATIONS AT DISTAL SITES IN CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-09-26
公開日1995-01-26
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional effects of multiple mutations at distal sites in cytochrome c.
Biochemistry, 34, 1995
1CIG
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BU of 1cig by Molmil
STRUCTURAL AND FUNCTIONAL EFFECTS OF MULTIPLE MUTATIONS AT DISTAL SITES IN CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-09-26
公開日1995-01-26
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional effects of multiple mutations at distal sites in cytochrome c.
Biochemistry, 34, 1995
1CIE
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BU of 1cie by Molmil
STRUCTURAL AND FUNCTIONAL EFFECTS OF MULTIPLE MUTATIONS AT DISTAL SITES IN CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-09-26
公開日1995-01-26
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional effects of multiple mutations at distal sites in cytochrome c.
Biochemistry, 34, 1995
1CIH
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BU of 1cih by Molmil
STRUCTURAL AND FUNCTIONAL EFFECTS OF MULTIPLE MUTATIONS AT DISTAL SITES IN CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-09-26
公開日1995-01-26
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional effects of multiple mutations at distal sites in cytochrome c.
Biochemistry, 34, 1995
1AL0
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BU of 1al0 by Molmil
PROCAPSID OF BACTERIOPHAGE PHIX174
分子名称: CAPSID PROTEIN GPF, SCAFFOLDING PROTEIN GPB, SCAFFOLDING PROTEIN GPD, ...
著者Rossmann, M.G, Dokland, T.
登録日1997-06-06
公開日1998-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of a viral procapsid with molecular scaffolding.
Nature, 389, 1997
6MYN
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BU of 6myn by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
分子名称: (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Harris, S.F, Smith, M, Barker, J.
登録日2018-11-01
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.744 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
1CD3
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BU of 1cd3 by Molmil
PROCAPSID OF BACTERIOPHAGE PHIX174
分子名称: PROTEIN (CAPSID PROTEIN GPF), PROTEIN (SCAFFOLDING PROTEIN GPB), PROTEIN (SCAFFOLDING PROTEIN GPD), ...
著者Rossmann, M.G, Dokland, T.
登録日1999-03-05
公開日1999-04-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The role of scaffolding proteins in the assembly of the small, single-stranded DNA virus phiX174.
J.Mol.Biol., 288, 1999
1YCC
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BU of 1ycc by Molmil
HIGH-RESOLUTION REFINEMENT OF YEAST ISO-1-CYTOCHROME C AND COMPARISONS WITH OTHER EUKARYOTIC CYTOCHROMES C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Louie, G.V, Brayer, G.D.
登録日1990-05-09
公開日1991-07-15
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献High-resolution refinement of yeast iso-1-cytochrome c and comparisons with other eukaryotic cytochromes c.
J.Mol.Biol., 214, 1990

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