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5WX5
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Alkylquinolone synthase Y215V mutant from Evodia rutaecarpa
分子名称: Alkylquinolone synthase
著者Matsui, T, Kodama, T, Tadakoshi, T, Morita, H.
登録日2017-01-06
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.058 Å)
主引用文献2-Alkylquinolone alkaloid biosynthesis in the medicinal plant Evodia rutaecarpa involves collaboration of two novel type III polyketide synthases
J. Biol. Chem., 292, 2017
6KOE
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BU of 6koe by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis
分子名称: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
著者Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
5IJ8
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Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor
分子名称: 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W.
登録日2016-03-01
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
5IEK
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BU of 5iek by Molmil
Structure of HLA-B*40:02 in complex with the endogenous peptide REFSKEPEL
分子名称: ARG-GLU-PHE-SER-LYS-GLU-PRO-GLU-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Alpizar, A, Marcilla, M, Santiago, C.
登録日2016-02-25
公開日2016-12-07
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of HLA-B*40:02 in complex with the endogenous peptide REFSKEPEL
To Be Published
6KV3
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Crystal Structure of NAD+ Synthetase from Staphylococcus aureus
分子名称: NH(3)-dependent NAD(+) synthetase
著者Nasrin, S.K, Sandeep, S.K.
登録日2019-09-03
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic and molecular dynamics simulation analysis of NAD synthetase from methicillin resistant Staphylococcus aureus (MRSA).
Int.J.Biol.Macromol., 165, 2020
5IFE
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BU of 5ife by Molmil
Crystal structure of the human SF3b core complex
分子名称: PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ...
著者Cretu, C, Dybkov, O, De Laurentiis, E, Will, C.L, Luhrmann, R, Pena, V.
登録日2016-02-25
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Architecture of SF3b and Structural Consequences of Its Cancer-Related Mutations.
Mol.Cell, 64, 2016
5IG0
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BU of 5ig0 by Molmil
Crystal structure of S. rosetta CaMKII hub
分子名称: CAMK/CAMK2 protein kinase, GLYCEROL, SULFATE ION
著者Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
登録日2016-02-26
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
5IGX
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Crystal structure of NIH45-46 Fab germline precursor in complex with 426c.TM1deltaV1-3 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.TM1deltaV1-3 gp120, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scharf, L, Bjorkman, P.J.
登録日2016-02-28
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
5IHN
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BU of 5ihn by Molmil
Crystal Structure of the alpha spectrin SH3 domain mutant N47G
分子名称: FORMIC ACID, SODIUM ION, Spectrin alpha chain, ...
著者Camara-Artigas, A.
登録日2016-02-29
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the alpha spectrin SH3 domain mutant N47G
to be published
6KXE
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The ishigamide ketosynthase/chain length factor
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ...
著者Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y.
登録日2019-09-10
公開日2020-05-06
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
5WDH
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BU of 5wdh by Molmil
Motor domain of human kinesin family member C1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ...
著者Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
登録日2017-07-05
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5WDP
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BU of 5wdp by Molmil
H-Ras mutant L120A bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5II6
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Crystal structure of the ZP-N1 domain of mouse sperm receptor ZP2 at 0.95 A resolution
分子名称: Zona pellucida sperm-binding protein 2
著者Dioguardi, E, Han, L, Nishimura, K, De Sanctis, D, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
6KXX
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Human PPAR alpha ligand binding domain in complex with a synthetic agonist (compound A)
分子名称: 1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PGC1alpha, Peroxisome proliferator-activated receptor alpha
著者Yoshida, T, Tachibana, K, Oki, H, Doi, M, Fukuda, S, Yuzuriha, T, Tabata, R, Ishimoto, K, Kawahara, K, Ohkubo, T, Miyachi, H, Doi, T.
登録日2019-09-14
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for PPAR alpha Activation by 1H-pyrazolo-[3,4-b]pyridine Derivatives.
Sci Rep, 10, 2020
6KRO
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BU of 6kro by Molmil
Tankyrase-2 in complex with RK-582
分子名称: 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one, GLYCEROL, PHOSPHATE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2019-08-22
公開日2020-04-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.
J.Med.Chem., 63, 2020
5IJI
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BU of 5iji by Molmil
Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in symmetric holo state
分子名称: EICOSANE, NITRATE ION, Nitrate/nitrite sensor histidine kinase NarQ
著者Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
登録日2016-03-02
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
5WI6
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BU of 5wi6 by Molmil
Human beta-1 tryptase mutant Ile99Cys
分子名称: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1
著者Eigenbrot, C, Maun, H.R.
登録日2017-07-18
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer.
J. Biol. Chem., 293, 2018
6KO7
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BU of 6ko7 by Molmil
Crystal structure of the Ethidium bound RamR determined with XtaLAB Synergy
分子名称: ETHIDIUM, Putative regulatory protein, SULFATE ION
著者Matsumoto, T, Nakashima, R, Yamano, A, Nishino, K.
登録日2019-08-08
公開日2019-10-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of a structure determination method using a multidrug-resistance regulator protein as a framework.
Biochem.Biophys.Res.Commun., 518, 2019
5WIJ
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JAK2 Pseudokinase in complex with NU6140
分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
著者Li, Q, Eck, M.J, Li, K, Park, E.
登録日2017-07-19
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5IJL
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BU of 5ijl by Molmil
D-family DNA polymerase - DP2 subunit (catalytic subunit)
分子名称: DNA polymerase II large subunit, ZINC ION
著者Sauguet, L, Raia, P, De Larue, M.
登録日2016-03-02
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
5WIL
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JAK2 Pseudokinase in complex with AZD7762
分子名称: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, Tyrosine-protein kinase JAK2
著者Li, Q, Eck, M.J, Li, K, Park, E.
登録日2017-07-19
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5IK2
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Caldalaklibacillus thermarum F1-ATPase (epsilon mutant)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
著者Ferguson, S.A, Cook, G.M, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2016-03-03
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum.
Proc.Natl.Acad.Sci.USA, 113, 2016
5WS9
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Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WUD
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Structural basis for conductance through TRIC cation channels
分子名称: MAGNESIUM ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-06-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5WUN
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Crystal structure of mouse importin-alpha1 bound to non-phosphorylated NLS of EBNA1
分子名称: Epstein-Barr nuclear antigen 1, Importin subunit alpha-1
著者Nakada, R, Hirano, H, Matsuura, Y.
登録日2016-12-19
公開日2017-01-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the regulation of nuclear import of Epstein-Barr virus nuclear antigen 1 (EBNA1) by phosphorylation of the nuclear localization signal.
Biochem. Biophys. Res. Commun., 484, 2017

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