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7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
Descriptor: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
Deposit date:2021-11-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
5ZQY
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BU of 5zqy by Molmil
Crystal structure of a poly(ADP-ribose) glycohydrolase
Descriptor: MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X.
Deposit date:2018-04-20
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.577 Å)
Cite:Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation.
J. Biol. Chem., 293, 2018
2DWR
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BU of 2dwr by Molmil
Crystal structure of the human Wa rotavirus VP8* carbohydrate-recognising domain
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein
Authors:Blanchard, H.
Deposit date:2006-08-16
Release date:2007-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
2ZGG
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BU of 2zgg by Molmil
Asn-hydroxylation stabilises the ankyrin repeat domain fold
Descriptor: 3 repeat synthetic ankyrin, CADMIUM ION, COBALT (II) ION
Authors:McDonough, M.A, Schofield, C.J.
Deposit date:2008-01-21
Release date:2008-02-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Asparagine beta-hydroxylation stabilizes the ankyrin repeat domain fold
Mol Biosyst, 5, 2009
2ZGD
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BU of 2zgd by Molmil
Asn-hydroxylation stabilises the ankyrin repeat domain fold
Descriptor: 3 repeat synthetic ankyrin, CADMIUM ION, CHLORIDE ION
Authors:McDonough, M.A, Schofield, C.J.
Deposit date:2008-01-21
Release date:2008-02-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Asparagine beta-hydroxylation stabilizes the ankyrin repeat domain fold
Mol Biosyst, 5, 2009
2I2S
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BU of 2i2s by Molmil
Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ...
Authors:Blanchard, H.
Deposit date:2006-08-16
Release date:2007-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
5ZT1
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BU of 5zt1 by Molmil
Structure of the bacterial pathogens ATPase with substrate ATP gamma S
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
Authors:Gao, X.P, Mu, Z.X, Cui, S.
Deposit date:2018-05-01
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.114 Å)
Cite:Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
5WI9
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BU of 5wi9 by Molmil
Crystal structure of KL with an agonist Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
Authors:Johnstone, S, Min, X, Wang, Z.
Deposit date:2017-07-18
Release date:2018-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018
8GDA
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BU of 8gda by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (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, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: (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, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: (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, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
8GD9
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BU of 8gd9 by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
5YBH
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BU of 5ybh by Molmil
Structural of the highly conserved ATPase from type III secretion system of bacterial pathogens
Descriptor: MAGNESIUM ION, Probable ATP synthase SpaL/MxiB, SULFATE ION
Authors:Mu, Z, Gao, X, Cui, S.
Deposit date:2017-09-05
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
6VW8
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BU of 6vw8 by Molmil
Formate Dehydrogenase FdsABG subcomplex FdsBG from C. necator
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Young, T.
Deposit date:2020-02-18
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and kinetic analyses of the FdsBG subcomplex of the cytosolic formate dehydrogenase FdsABG fromCupriavidus necator.
J.Biol.Chem., 295, 2020
6TKB
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BU of 6tkb by Molmil
ChiLob 7/4 H2 HC-C224S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C224S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKD
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BU of 6tkd by Molmil
ChiLob 7/4 H2 HC-C228S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C228S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKE
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BU of 6tke by Molmil
ChiLob 7/4 H2 HC-C224S Kappa LC-C214S F(ab')2
Descriptor: ChiLob 7/4 H2 heavy chain C224S, ChiLob 7/4 H2 kappa chain C214S
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKF
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BU of 6tkf by Molmil
ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2
Descriptor: ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKC
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BU of 6tkc by Molmil
ChiLob 7/4 H2 HC-C225S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C225S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6VW7
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BU of 6vw7 by Molmil
Formate Dehydrogenase FdsABG subcomplex FdsBG from C. necator - NADH bound
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Young, T.
Deposit date:2020-02-18
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and kinetic analyses of the FdsBG subcomplex of the cytosolic formate dehydrogenase FdsABG fromCupriavidus necator.
J.Biol.Chem., 295, 2020
4ZLS
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BU of 4zls by Molmil
HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand)
Descriptor: ACETATE ION, CHLORIDE ION, Protease, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2015-05-01
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies.
J.Med.Chem., 58, 2015
8GCM
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BU of 8gcm by Molmil
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
Descriptor: (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, ...
Authors:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: (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, ...
Authors:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
3UCR
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BU of 3ucr by Molmil
Crystal structure of the immunoreceptor TIGIT IgV domain
Descriptor: CHLORIDE ION, T cell immunoreceptor with Ig and ITIM domains
Authors:Yin, J.P, Stengel, K.F, Rouge, L, Bazan, J.F, Wiesmann, C.
Deposit date:2011-10-27
Release date:2012-03-14
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.627 Å)
Cite:Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering.
Proc.Natl.Acad.Sci.USA, 109, 2012
3W2D
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BU of 3w2d by Molmil
Crystal Structure of Staphylococcal Eenterotoxin B in complex with a novel neutralization monoclonal antibody Fab fragment
Descriptor: Enterotoxin type B, Monoclonal Antibody 3E2 Fab figment heavy chain, Monoclonal Antibody 3E2 Fab figment light chain, ...
Authors:Liang, S.Y, Hu, S, Dai, J.X, Guo, Y.J, Lou, Z.Y.
Deposit date:2012-11-28
Release date:2013-12-25
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the neutralization and specificity of Staphylococcal enterotoxin B against its MHC Class II binding site.
MAbs, 6, 2014

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