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8JWN
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BU of 8jwn by Molmil
Crystal structure of AKRtyl-NADPH complex
分子名称: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWL
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BU of 8jwl by Molmil
The first purified state crystal structure of AKRtyl
分子名称: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
2MVT
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BU of 2mvt by Molmil
Solution structure of scoloptoxin SSD609 from Scolopendra mutilans
分子名称: Scoloptoxin SSD609
著者Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C.
登録日2014-10-14
公開日2015-09-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit.
Sci Rep, 5, 2015
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
分子名称: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
著者Sack, J.S.
登録日2008-01-11
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
3BXU
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BU of 3bxu by Molmil
PpcB, A Cytochrome c7 from Geobacter sulfurreducens
分子名称: Cytochrome c3, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Pokkuluri, P.R, Schiffer, M.
登録日2008-01-14
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insights into the modulation of the redox properties of two Geobacter sulfurreducens homologous triheme cytochromes.
Biochim.Biophys.Acta, 1777, 2008
5WYM
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BU of 5wym by Molmil
Crystal structure of an anti-connexin26 scFv
分子名称: anti-connexin26 scFv,Ig heavy chain,Linker,anti-connexin26 scFv,Ig light chain
著者Li, S, Xu, L.
登録日2017-01-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Design and Characterization of a Human Monoclonal Antibody that Modulates Mutant Connexin 26 Hemichannels Implicated in Deafness and Skin Disorders
Front Mol Neurosci, 10, 2017
4HXX
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BU of 4hxx by Molmil
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
分子名称: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
著者Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
7DVW
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BU of 7dvw by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVY
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BU of 7dvy by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate
分子名称: 3C-like proteinase, nsp9/10 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVX
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BU of 7dvx by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate
分子名称: 3C-like proteinase, nsp6/7 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVP
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BU of 7dvp by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate
分子名称: 3C-like proteinase, nsp4/5 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-14
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW0
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BU of 7dw0 by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate
分子名称: 3C-like proteinase, nsp14/15 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW6
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BU of 7dw6 by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate
分子名称: 3C-like proteinase, nsp15/16 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7E5X
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BU of 7e5x by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE apo form at 2.2 angstrom
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-02-21
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
2RG6
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BU of 2rg6 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J
分子名称: 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
2RG5
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BU of 2rg5 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
1UP7
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BU of 1up7 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-11-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
1UP4
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BU of 1up4 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.85 Angstrom resolution in the monoclinic form
分子名称: 6-PHOSPHO-BETA-GLUCOSIDASE
著者Varrot, A, Yip, V, Withers, S.G, Davies, G.J.
登録日2003-09-26
公開日2004-11-18
最終更新日2016-12-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
1UP6
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BU of 1up6 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-08-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima.
J.Am.Chem.Soc., 126, 2004
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8IK3
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BU of 8ik3 by Molmil
Structure of Stimulator of interferon genes/ligand complex
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3, cGAMP
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
7FIV
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BU of 7fiv by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis)
分子名称: CidA_I gamma/2 protein, CidB_I b/2 protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIT
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BU of 7fit by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel
分子名称: bacteria factor 1
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIW
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Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel)
分子名称: ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIU
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BU of 7fiu by Molmil
Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
分子名称: ULP_PROTEASE domain-containing protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022

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