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6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
2IIT
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BU of 2iit by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
登録日2006-09-28
公開日2006-11-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2IIV
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BU of 2iiv by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Weber, A.E, Biftu, T.
登録日2006-09-28
公開日2006-11-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
4V40
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BU of 4v40 by Molmil
BETA-GALACTOSIDASE
分子名称: BETA-GALACTOSIDASE, MAGNESIUM ION
著者Jacobson, R.H, Zhang, X, Dubose, R.F, Matthews, B.W.
登録日1994-07-18
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of beta-galactosidase from E. coli.
Nature, 369, 1994
7RN0
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BU of 7rn0 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R
分子名称: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-08-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-09-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
5X6O
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BU of 5x6o by Molmil
Intact ATR/Mec1-ATRIP/Ddc2 complex
分子名称: DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1
著者Wang, X, Ran, T, Cai, G.
登録日2017-02-22
公開日2017-12-20
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP.
Science, 358, 2017
7BRM
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BU of 7brm by Molmil
Architecture of curli complex
分子名称: Curli production assembly/transport protein CsgG, csgf
著者Zhang, M, Shi, H.
登録日2020-03-29
公開日2020-07-15
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
5XNM
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BU of 5xnm by Molmil
Structure of unstacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2017-05-23
公開日2017-09-20
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
5XNL
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BU of 5xnl by Molmil
Structure of stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2017-05-23
公開日2017-09-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
5XNN
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BU of 5xnn by Molmil
Structure of M-LHCII and CP24 complexes in the stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2017-05-23
公開日2017-09-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
3K3O
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BU of 3k3o by Molmil
Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8
著者Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z.
登録日2009-10-03
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010
2I89
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BU of 2i89 by Molmil
Structure of septuple mutant of Rat Outer Mitochondrial Membrane Cytochrome B5
分子名称: Cytochrome b5 type B, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Terzyan, S, Zhang, X.C, Benson, D.R, Wang, L, Sun, N.
登録日2006-09-01
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A histidine/tryptophan pi-stacking interaction stabilizes the heme-independent folding core of microsomal apocytochrome b5 relative to that of mitochondrial apocytochrome b5.
Biochemistry, 45, 2006
1DDJ
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BU of 1ddj by Molmil
CRYSTAL STRUCTURE OF HUMAN PLASMINOGEN CATALYTIC DOMAIN
分子名称: PLASMINOGEN
著者Wang, X, Terzyan, S, Tang, J, Loy, J, Lin, X, Zhang, X.
登録日1999-11-10
公開日2000-02-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human plasminogen catalytic domain undergoes an unusual conformational change upon activation.
J.Mol.Biol., 295, 2000
5X4S
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BU of 5x4s by Molmil
Structure of the N-terminal domain (NTD)of SARS-CoV spike protein
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, Spike glycoprotein
著者Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F.
登録日2017-02-14
公開日2017-05-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
3S8M
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BU of 3s8m by Molmil
The Crystal Structure of FabV
分子名称: Enoyl-ACP Reductase
著者Li, H, Zhang, X.L, Bi, L.J, He, J, Jiang, T.
登録日2011-05-29
公開日2011-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Determination of the Crystal Structure and Active Residues of FabV, the Enoyl-ACP Reductase from Xanthomonas oryzae.
Plos One, 6, 2011
6DQB
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LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ6
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQF
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献To be determined
To Be Published
6DQA
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Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018

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