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7XN6
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BU of 7xn6 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7XN5
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BU of 7xn5 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7LOS
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BU of 7los by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65
分子名称: 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-02-10
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LLZ
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BU of 7llz by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69
分子名称: N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide, Non-structural protein 3, SULFATE ION, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-02-04
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LLF
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BU of 7llf by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83
分子名称: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-02-03
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LBR
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BU of 7lbr by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89
分子名称: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, GLYCEROL, Non-structural protein 3, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-01-08
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LBS
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BU of 7lbs by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24
分子名称: 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide, BORIC ACID, GLYCEROL, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-01-08
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
分子名称: Enolase, MAGNESIUM ION, Putative gene 60 protein
著者Li, S, Zhang, K.
登録日2022-04-26
公開日2022-07-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
1LPM
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BU of 1lpm by Molmil
A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES
分子名称: (1R)-MENTHYL HEXYL PHOSPHONATE GROUP, 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Grochulski, P.G, Cygler, M.C.
登録日1995-01-06
公開日1995-04-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
1LPN
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BU of 1lpn by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
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Grochulski, P.G, Cygler, M.C.
登録日1995-01-11
公開日1995-04-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
5VZ2
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BU of 5vz2 by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
分子名称: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2017-05-26
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
2KUB
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BU of 2kub by Molmil
Solution structure of the alpha subdomain of the major non-repeat unit of Fap1 fimbriae of Streptococcus parasanguis
分子名称: Fimbriae-associated protein Fap1
著者Ramboarina, S, Garnett, J.A, Bodey, A, Simpson, P, Bardiaux, B, Nilges, M, Matthews, S.
登録日2010-02-17
公開日2010-07-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural insights into serine-rich fimbriae from gram-positive bacteria.
J.Biol.Chem., 2010
1MFA
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BU of 1mfa by Molmil
STRUCTURE OF A SINGLE-CHAIN FV FRAGMENT COMPLEXED WITH A CARBOHYDRATE ANTIGEN AT 1.7 ANGSTROMS RESOLUTION
分子名称: IGG1-LAMBDA SE155-4 FAB (HEAVY CHAIN), IGG1-LAMBDA SE155-4 FAB (LIGHT CHAIN), alpha-D-galactopyranose-(1-2)-[alpha-D-Abequopyranose-(1-3)]methyl alpha-D-mannopyranoside
著者Zdanov, A, Cygler, M.
登録日1993-10-25
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a single-chain antibody variable domain (Fv) fragment complexed with a carbohydrate antigen at 1.7-A resolution.
Proc.Natl.Acad.Sci.USA, 91, 1994
7XY9
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BU of 7xy9 by Molmil
Cryo-EM structure of secondary alcohol dehydrogenases TbSADH after carrier-free immobilization based on weak intermolecular interactions
分子名称: MAGNESIUM ION, NADP-dependent isopropanol dehydrogenase, ZINC ION
著者Chen, Q, Li, X, Yang, F, Qu, G, Sun, Z.T, Wang, Y.J.
登録日2022-06-01
公開日2023-06-07
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献Active and stable alcohol dehydrogenase-assembled hydrogels via synergistic bridging of triazoles and metal ions.
Nat Commun, 14, 2023
1B19
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BU of 1b19 by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 5.80 COORDINATES)
分子名称: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
著者Diao, J.S, Caspar, D.L.D.
登録日1998-11-26
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1MRE
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BU of 1mre by Molmil
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES
分子名称: GUANOSINE-5'-DIPHOSPHATE, IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), ...
著者Pokkuluri, P.R, Cygler, M.
登録日1994-06-13
公開日1995-02-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
J.Mol.Biol., 243, 1994
1B2E
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BU of 1b2e by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.50 COORDINATES)
分子名称: PROTEIN (INSULIN a chain), PROTEIN (INSULIN b chain), SULFATE ION
著者Diao, J.S, Caspar, D.L.D.
登録日1998-11-26
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1B17
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BU of 1b17 by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 5.00 COORDINATES)
分子名称: PROTEIN (INSULIN A chain), PROTEIN (INSULIN b chain), SULFATE ION
著者Diao, J.S, Caspar, D.L.D.
登録日1998-11-22
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1B2G
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BU of 1b2g by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 9.00 COORDINATES)
分子名称: PROTEIN (INSULIN a chain), PROTEIN (INSULIN b chain)
著者Diao, J.S, Caspar, D.L.D.
登録日1998-11-26
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
8GCM
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BU of 8gcm by Molmil
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
分子名称: (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GCP
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BU of 8gcp by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDA
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BU of 8gda by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDB
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BU of 8gdb by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDC
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BU of 8gdc by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023

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