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6G4Z
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BU of 6g4z by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f
分子名称: 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14
著者Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
6G4Y
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BU of 6g4y by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a
分子名称: 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Hole, A.J, Hymowitz, S.G, McEwan, P.A.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
4ZNQ
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BU of 4znq by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-2)Man
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-05-05
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZNO
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BU of 4zno by Molmil
Crystal structure of Dln1 complexed with sucrose
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-05-05
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZNR
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BU of 4znr by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-3)Man
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-05-05
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
8DJD
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BU of 8djd by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
分子名称: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-06-30
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.
Bioorg.Med.Chem.Lett., 81, 2023
5JAQ
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BU of 5jaq by Molmil
Yersinia pestis FabV variant T276C
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
5DI0
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BU of 5di0 by Molmil
Crystal structure of Dln1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-08-31
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
分子名称: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Rouge, R, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Wang, W.
登録日2015-05-22
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5DIJ
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BU of 5dij by Molmil
The crystal structure of CT
分子名称: CHLORIDE ION, GLYCEROL, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-09-01
公開日2016-09-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5DLK
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BU of 5dlk by Molmil
The crystal structure of CT mutant
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-09-06
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5EGF
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BU of 5egf by Molmil
The crystal structure of SeMet-CT
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-10-27
公開日2016-10-19
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5EJD
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BU of 5ejd by Molmil
The crystal structure of holo T3CT
分子名称: 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-11-01
公開日2016-10-19
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
6J2P
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BU of 6j2p by Molmil
Crystal structure of Saccharomyces cerevisiae Spp1 in complex with H3K4me3
分子名称: COMPASS component SPP1, Histone H3, ZINC ION
著者He, C, Li, F.
登録日2019-01-02
公開日2019-09-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis for histone H3K4me3 recognition by the N-terminal domain of the PHD finger protein Spp1.
Biochem.J., 476, 2019
6J7J
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BU of 6j7j by Molmil
Crystal structure of Pseudomonas aeruginosa Earp
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp
著者He, C, Li, F.
登録日2019-01-18
公開日2019-05-15
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J7K
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BU of 6j7k by Molmil
Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP-Rha
分子名称: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp
著者He, C, Li, F.
登録日2019-01-18
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J7L
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BU of 6j7l by Molmil
Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp, THYMIDINE-5'-DIPHOSPHATE
著者He, C, Li, F.
登録日2019-01-18
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J7M
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BU of 6j7m by Molmil
Complex structure of the Pseudomonas aeruginosa rhamnosyltransferase EarP with the acceptor elongation factor EF-P
分子名称: Earp, Elongation factor P, GLYCEROL, ...
著者He, C, Li, F.
登録日2019-01-18
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J2W
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BU of 6j2w by Molmil
The structure of OBA3-OTA complex
分子名称: DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
著者Xu, G.H, Li, C.G.
登録日2019-01-03
公開日2019-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure-guided post-SELEX optimization of an ochratoxin A aptamer.
Nucleic Acids Res., 47, 2019
8HL8
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BU of 8hl8 by Molmil
Crystal structrue of MtdL R257K mutant
分子名称: MANGANESE (II) ION, Transglycosylse
著者Li, F.D, He, C.
登録日2022-11-29
公開日2023-03-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7YSR
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BU of 7ysr by Molmil
GTPgammaS MT decorated with kinesin
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ...
著者Zhou, J, Wang, H.-W.
登録日2022-08-12
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
7YSO
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BU of 7yso by Molmil
Tubulin heterodimer structure of GDP-1 state in solution
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha-1B chain, ...
著者Zhou, J, Wang, H.-W.
登録日2022-08-12
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023

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