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7ODP
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BU of 7odp by Molmil
Neisseria gonorrhoeae transaldolase at 2.7 MGy dose
分子名称: CITRIC ACID, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2021-04-30
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7OEY
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BU of 7oey by Molmil
Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution
分子名称: GLYCEROL, SODIUM ION, SUCCINIC ACID, ...
著者Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2021-05-04
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7XIV
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BU of 7xiv by Molmil
Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein
分子名称: Nucleocapsid protein,Minor nucleoprotein VP30
著者Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y.
登録日2022-04-14
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Structural insights into the interactions between lloviu virus VP30 and nucleoprotein.
Biochem.Biophys.Res.Commun., 616, 2022
7X39
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BU of 7x39 by Molmil
Structure of CIZ1 bound ERH
分子名称: Enhancer of rudimentary homolog,Cip1-interacting zinc finger protein
著者Wang, X, Xu, C.
登録日2022-02-28
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular basis for the recognition of CIZ1 by ERH.
Febs J., 290, 2023
7BBX
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BU of 7bbx by Molmil
Neisseria gonorrhoeae transaldolase, variant K8A
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K.
登録日2020-12-18
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
7BBW
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BU of 7bbw by Molmil
Neisseria gonorrhoeae transaldolase, variant C38S
分子名称: GLYCEROL, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2020-12-18
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
8UWA
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BU of 8uwa by Molmil
VH1-18 QxxV class antibody 09-1B12 bound to A/Perth/16/2009 H3N2 hemagglutinin
分子名称: 09-1B12 heavy chain, 09-1B12 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maurer, D.P.
登録日2023-11-06
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.02 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
5V9Z
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RNA hairpin structure containing 2-MeImpG analogue bound
分子名称: 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, RNA (25-MER), RNA (5'-R(P*GP*CP*AP*CP*CP*UP*CP*A)-3')
著者Zhang, W, Szostak, J.W.
登録日2017-03-24
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
4RQU
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BU of 4rqu by Molmil
Alcohol Dehydrogenase crystal structure in complex with NAD
分子名称: Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Xu, Y.W.
登録日2014-11-05
公開日2014-12-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into the conformational change of alcohol dehydrogenase from arabidopsis Thalianal during coenzyme binding.
Biochimie, 108C, 2014
3O51
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BU of 3o51 by Molmil
Crystal structure of anthranilamide 10 bound to AuroraA
分子名称: N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
著者Huang, X.
登録日2010-07-27
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
7VS3
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BU of 7vs3 by Molmil
The crystal structure of rat calcium-dependent activator protein for secretion (CAPS) C2PH
分子名称: Calcium-dependent secretion activator 1, SULFATE ION
著者Zhou, H, Wei, Z.Q, Zhang, L, Ren, Y.J, Ma, C.
登録日2021-10-25
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献The C 2 and PH domains of CAPS constitute an effective PI(4,5)P2-binding unit essential for Ca 2+ -regulated exocytosis.
Structure, 31, 2023
5C8T
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BU of 5c8t by Molmil
Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligand SAM
分子名称: Guanine-N7 methyltransferase, MAGNESIUM ION, Non-structural protein 10, ...
著者Ma, Y.Y, Wu, L.J, Zhang, R.G, Rao, Z.H.
登録日2015-06-26
公開日2015-07-15
最終更新日2015-08-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis and functional analysis of the SARS coronavirus nsp14-nsp10 complex
Proc.Natl.Acad.Sci.USA, 112, 2015
5C8U
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BU of 5c8u by Molmil
Crystal structure of the SARS coronavirus nsp14-nsp10 complex
分子名称: Guanine-N7 methyltransferase, MAGNESIUM ION, Non-structural protein 10, ...
著者Ma, Y.Y, Wu, L.J, Zhang, R.G, Rao, Z.H.
登録日2015-06-26
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.401 Å)
主引用文献Structural basis and functional analysis of the SARS coronavirus nsp14-nsp10 complex
Proc.Natl.Acad.Sci.USA, 112, 2015
3T0H
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BU of 3t0h by Molmil
Structure insights into mechanisms of ATP hydrolysis and the activation of human Hsp90
分子名称: Heat shock protein HSP 90-alpha
著者Li, J.
登録日2011-07-20
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
3T0Z
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Hsp90 N-terminal domain bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Li, J.
登録日2011-07-21
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
4EJS
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BU of 4ejs by Molmil
Structure of yeast elongator subcomplex Elp456
分子名称: Elongator complex protein 4, Elongator complex protein 5, Elongator complex protein 6
著者Lin, Z, Zhao, W, Long, J, Shen, Y.
登録日2012-04-07
公開日2012-05-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Crystal structure of elongator subcomplex Elp4-6
J.Biol.Chem., 287, 2012
4K0B
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BU of 4k0b by Molmil
Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAM and PPi
分子名称: DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2013-04-03
公開日2013-05-01
最終更新日2014-10-08
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
7V14
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BU of 7v14 by Molmil
Factor XIa in Complex with Compound 2h
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Cedervall, P, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V18
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BU of 7v18 by Molmil
Factor XIa in Complex with Compound 3f
分子名称: 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V17
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Factor XIa in Complex with Compound 2k
分子名称: 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M, Cedervall, P.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.522 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V13
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Factor XIa in Complex with Compound 2g
分子名称: 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M, Cedervall, P.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V0Z
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Factor XIa in Complex with Compound 2a
分子名称: Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V12
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Factor XIa in Complex with Compound 2f
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V16
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Factor XIa in Complex with Compound 2j
分子名称: 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V11
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Factor XIa in Complex with Compound 2e
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.472 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022

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