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3NYX
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BU of 3nyx by Molmil
Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Eigenbrot, C, Ultsch, M.
登録日2010-07-15
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new regulatory switch in a JAK protein kinase.
Proteins, 79, 2011
3FAN
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BU of 3fan by Molmil
Crystal structure of chymotrypsin-like protease/proteinase (3CLSP/Nsp4) of porcine reproductive and respiratory syndrome virus (PRRSV)
分子名称: Non-structural protein, PHOSPHATE ION
著者Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F.
登録日2008-11-17
公開日2009-09-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
4NK2
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BU of 4nk2 by Molmil
Crystal structure of Hell's gate globin IV
分子名称: Hemoglobin-like protein, PROTOPORPHYRIN IX CONTAINING FE
著者Jamil, F.
登録日2013-11-12
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of truncated haemoglobin from an extremely thermophilic and acidophilic bacterium.
J.Biochem., 156, 2014
3FFV
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BU of 3ffv by Molmil
Crystal Structure Analysis of Syd
分子名称: Protein syd
著者Maurus, R, Brayer, G.D.
登録日2008-12-04
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure, Binding, and Activity of Syd, a SecY-interacting Protein
J.Biol.Chem., 284, 2009
4NK1
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BU of 4nk1 by Molmil
Crystal structure of phosphate-bound Hell's gate globin IV
分子名称: Hemoglobin-like protein, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Jamil, F.
登録日2013-11-12
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of truncated haemoglobin from an extremely thermophilic and acidophilic bacterium.
J.Biochem., 156, 2014
3HUI
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BU of 3hui by Molmil
Crystal Structure of the mutant A105R of [2Fe-2S] Ferredoxin in the Class I CYP199A2 System from Rhodopseudomonas palustris
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
著者Bell, S.G, Xu, F, Rao, Z, Wong, L.-L.
登録日2009-06-14
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Protein recognition in ferredoxin-P450 electron transfer in the class I CYP199A2 system from Rhodopseudomonas palustris
J.Biol.Inorg.Chem., 15, 2010
4PZA
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BU of 4pza by Molmil
The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c with inorganic phosphate
分子名称: Glucosyl-3-phosphoglycerate phosphatase, PHOSPHATE ION
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-03-29
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
4PZ9
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BU of 4pz9 by Molmil
The native structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c
分子名称: Glucosyl-3-phosphoglycerate phosphatase
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-03-28
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
3QNW
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BU of 3qnw by Molmil
Caspase-6 in complex with Z-VAD-FMK inhibitor
分子名称: Caspase-6, Z-VAD-FMK
著者Mueller, I, Lamers, M, Ritchie, A, Park, H, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
登録日2011-02-09
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of human caspase-6 in complex with Z-VAD-FMK: New peptide binding mode observed for the non-canonical caspase conformation.
Bioorg.Med.Chem.Lett., 21, 2011
3FG2
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BU of 3fg2 by Molmil
Crystal Structure of Ferredoxin Reductase for the CYP199A2 System from Rhodopseudomonas palustris
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Putative rubredoxin reductase
著者Xu, F.
登録日2008-12-04
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a ferredoxin reductase for the CYP199A2 system from Rhodopseudomonas palustris
Proteins, 77, 2009
3FAO
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BU of 3fao by Molmil
Crystal structure of S118A mutant 3CLSP of PRRSV
分子名称: Non-structural protein, PHOSPHATE ION
著者Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F.
登録日2008-11-17
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
4QIH
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BU of 4qih by Molmil
The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c complexes with VO3
分子名称: Glucosyl-3-phosphoglycerate phosphatase, VANADATE ION
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-05-30
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
3IWW
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BU of 3iww by Molmil
Crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DBIBzL, a urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Barinka, C, Lubkowski, J.
登録日2009-09-03
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 20, 2010
7K1L
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BU of 7k1l by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
著者Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Welk, L, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-07
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
1P5Q
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BU of 1p5q by Molmil
Crystal Structure of FKBP52 C-terminal Domain
分子名称: FK506-binding protein 4, SULFATE ION
著者Wu, B, Li, P, Lou, Z, Shu, C, Ding, Y, Shen, B, Rao, Z.
登録日2003-04-28
公開日2004-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex
Proc.Natl.Acad.Sci.USA, 101, 2004
1Q1C
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BU of 1q1c by Molmil
Crystal structure of N(1-260) of human FKBP52
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, FK506-binding protein 4
著者Wu, B, Li, P, Lou, Z, Ding, Y, Shu, C, Shen, B, Rao, Z.
登録日2003-07-18
公開日2004-06-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex
Proc.Natl.Acad.Sci.USA, 101, 2004
3RIN
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BU of 3rin by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide
著者Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M.
登録日2011-04-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
6MYR
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BU of 6myr by Molmil
Avian mitochondrial complex II with thiapronil bound
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Huang, L.-S, Luemmen, P, Berry, E.A.
登録日2018-11-02
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYS
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BU of 6mys by Molmil
Avian mitochondrial complex II with Atpenin A5 bound, sidechain outside
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, FE2/S2 (INORGANIC) CLUSTER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
7QEP
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BU of 7qep by Molmil
Cryo-EM structure of the ribosome from Encephalitozoon cuniculi
分子名称: 18S ribosomal RNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ...
著者Nicholson, D, Ranson, N.A, Melnikov, S.V.
登録日2021-12-03
公開日2022-02-09
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Adaptation to genome decay in the structure of the smallest eukaryotic ribosome
Nat Commun, 13, 2022
7QQ6
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BU of 7qq6 by Molmil
GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 1 (dovitinib)
分子名称: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, eIF-2-alpha kinase GCN2
著者Maia de Oliveira, T.
登録日2022-01-06
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
7QWK
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GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2
分子名称: (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2
著者Maia de Oliveira, T.
登録日2022-01-25
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
7RKT
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BU of 7rkt by Molmil
Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKR
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Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKW
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Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023

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