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PDB: 53266 件

8C1F
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Aurora A kinase in complex with TPX2-inhibitor 6
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.924 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
8C1K
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Aurora A kinase in complex with TPX2-inhibitor CAM2602
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
6EZC
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Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D.
登録日2017-11-14
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
8C1G
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Aurora A kinase in complex with TPX2-inhibitor 7
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
6V3P
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BU of 6v3p by Molmil
The BIgI domain of beta protein from S. agalactiae bound to CEACAM1
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, IgA FC receptor, ...
著者Bonsor, D.A, McCarthy, A.J.
登録日2019-11-26
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Bacterial protein domains with a novel Ig-like fold target human CEACAM receptors.
Embo J., 40, 2021
3ISC
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BU of 3isc by Molmil
Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA
分子名称: 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
6MJY
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M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
分子名称: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-09-23
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
7KUZ
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BU of 7kuz by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56N mutant with pyruvate bound in the active site and L-lysine bound at the allosteric site
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
著者Saran, S, Sanders, D.A.R.
登録日2020-11-25
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献ALLOSTERIC SITE RESIDUE 'H56' CAPS THE INHIBITOR AT THE TIGHT DIMER INTERFACE FOR TRANSMITTING THE ALLOSTERIC INHIBITION SIGNALS IN Cj.DHDPS
To Be Published
7F55
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BU of 7f55 by Molmil
Cryo-EM structure of bremelanotide-MC4R-Gs_Nb35 complex
分子名称: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J.
登録日2021-06-21
公開日2021-11-03
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into ligand recognition and activation of the melanocortin-4 receptor.
Cell Res., 31, 2021
7F54
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BU of 7f54 by Molmil
Cryo-EM structure of afamelanotide-MC4R-Gs_Nb35 complex
分子名称: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J.
登録日2021-06-21
公開日2021-11-03
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into ligand recognition and activation of the melanocortin-4 receptor.
Cell Res., 31, 2021
8PEI
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BU of 8pei by Molmil
Crystal structure of the biphotochromic fluorescent protein SAASoti (C21N/V127T variant) in its green on-state
分子名称: C21N/V127T form of the biphotochromic fluorescent protein SAASoti
著者Boyko, K.M, Varfolomeeva, L.A, Matyuta, I.O, Gavshina, A.V, Solovyev, I.D, Popov, V.O, Savitsky, A.P.
登録日2023-06-14
公開日2024-01-17
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The role of the correlated motion(s) of the chromophore in photoswitching of green and red forms of the photoconvertible fluorescent protein mSAASoti.
Sci Rep, 14, 2024
6V6K
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BU of 6v6k by Molmil
EGFR(T790M/V948R) in complex with LN2057
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
著者Heppner, D.E, Eck, M.J.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6F77
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BU of 6f77 by Molmil
Crystal structure of the prephenate aminotransferase from Rhizobium meliloti
分子名称: Aspartate aminotransferase A, PYRIDOXAL-5'-PHOSPHATE
著者Cobessi, D, Giustini, C, Graindorge, M, Matringe, M.
登録日2017-12-07
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase.
Febs J., 286, 2019
5IVX
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BU of 5ivx by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Natarajan, K, Jiang, J, Margulies, D.
登録日2016-03-21
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
8TWU
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BU of 8twu by Molmil
Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro
分子名称: (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450 AspB, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gering, H.E, Li, X, Tang, H, Swartz, P.D, Chang, W.-C, Makris, T.M.
登録日2023-08-21
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization.
J.Am.Chem.Soc., 145, 2023
5TW2
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BU of 5tw2 by Molmil
Structure of mouse CD1d with bound alpha-galactosylsphingamide JG168
分子名称: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Wang, J.
登録日2016-11-11
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Galactosylsphingamides: new alpha-GalCer analogues to probe the F'-pocket of CD1d.
Sci Rep, 7, 2017
6MJE
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BU of 6mje by Molmil
Structure of Candida glabrata Csm1: S. cerevisiae Dsn1 complex
分子名称: Dsn1p, Monopolin complex subunit CSM1
著者Singh, N, Corbett, K.D.
登録日2018-09-20
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The molecular basis of monopolin recruitment to the kinetochore.
Chromosoma, 128, 2019
7F53
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BU of 7f53 by Molmil
Cryo-EM structure of a-MSH-MC4R-Gs_Nb35 complex
分子名称: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J.
登録日2021-06-21
公開日2021-11-03
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into ligand recognition and activation of the melanocortin-4 receptor.
Cell Res., 31, 2021
5MP7
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BU of 5mp7 by Molmil
Crystal structure of phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis
分子名称: ACETATE ION, Ribose-phosphate pyrophosphokinase
著者Donini, S, Garavaglia, S, Ferraris, D.M, Miggiano, R, Mori, S, Shibayama, K, Rizzi, M.
登録日2016-12-16
公開日2017-04-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and structural investigations on phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis.
PLoS ONE, 12, 2017
6VB0
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BU of 6vb0 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6B2Y
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BU of 6b2y by Molmil
Apo YiuA Crystal Form 2
分子名称: SODIUM ION, Solute-binding periplasmic protein of iron/siderophore ABC transporter
著者Radka, C.D, DeLucas, L.J, Aller, S.G.
登録日2017-09-20
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The crystal structure of the Yersinia pestis iron chaperone YiuA reveals a basic triad binding motif for the chelated metal.
Acta Crystallogr D Struct Biol, 73, 2017
6VB3
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HLA-B*15:01 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HLA-B*15:01 complexed with a synthetic peptide
To Be Published
6VB2
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BU of 6vb2 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6VB5
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BU of 6vb5 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
7T5V
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BU of 7t5v by Molmil
Structure of E. coli CapH C-terminal domain I99M mutant
分子名称: Helix-turn-helix domain-containing protein
著者Lau, R.K, Corbett, K.D.
登録日2021-12-13
公開日2022-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage.
Embo J., 41, 2022

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件を2024-09-04に公開中

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