6LH4
 
 | | Crystal structural of MacroD1-ADPr complex | | Descriptor: | ADP-ribose glycohydrolase MACROD1, [(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: | Yang, X, Ma, Y, Li, Y. | | Deposit date: | 2019-12-06 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
|
|
6SB1
 | | Crystal structure of murine perforin-2 P2 domain crystal form 1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Macrophage-expressed gene 1 protein | | Authors: | Ni, T, Ginger, L, Gilbert, R.J.C. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-05 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
|
|
7XYD
 | | Crystal structure of TMPRSS2 in complex with Nafamostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-01 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
|
|
3VF5
 | | Crystal Structure of HIV-1 Protease Mutant I47V with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
|
|
3VF7
 | | Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
|
|
3VFA
 | | Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, SODIUM ION, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
|
|
3VFB
 | | Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
|
|
7Y0F
 | | Crystal structure of TMPRSS2 in complex with UK-371804 | | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
|
|
7Y0E
 | | Crystal structure of TMPRSS2 in complex with Camostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
|
|
4AYF
 | | Crystal structure of the complex of the Caf1M:Caf1 chaperone:subunit preassembly complex carrying the Tyr40Ala mutation in the Caf1M chaperone | | Descriptor: | CHAPERONE PROTEIN CAF1M, F1 CAPSULE ANTIGEN | | Authors: | Yu, X.D, Dubnovitsky, A, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V. | | Deposit date: | 2012-06-20 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway.
Structure, 20, 2012
|
|
3J9D
 | | Atomic structure of a non-enveloped virus reveals pH sensors for a coordinated process of cell entry | | Descriptor: | Outer capsid protein VP2, ZINC ION | | Authors: | Zhang, X, Patel, A, Celma, C, Roy, P, Zhou, Z.H. | | Deposit date: | 2015-01-09 | | Release date: | 2015-12-09 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Atomic model of a nonenveloped virus reveals pH sensors for a coordinated process of cell entry.
Nat.Struct.Mol.Biol., 23, 2016
|
|
3J9E
 | | Atomic structure of a non-enveloped virus reveals pH sensors for a coordinated process of cell entry | | Descriptor: | VP5 | | Authors: | Zhang, X, Patel, A, Celma, C, Roy, P, Zhou, Z.H. | | Deposit date: | 2015-01-10 | | Release date: | 2015-12-09 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Atomic model of a nonenveloped virus reveals pH sensors for a coordinated process of cell entry.
Nat.Struct.Mol.Biol., 23, 2016
|
|
6NHJ
 | | Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development | | Descriptor: | Major capsid protein, Minor capsid protein, Small capsomere-interacting protein, ... | | Authors: | Liu, W, Dai, X.H, Jih, J, Chan, K, Trang, P, Yu, X.K, Balogun, R, Mei, Y, Liu, F.Y, Zhou, Z.H. | | Deposit date: | 2018-12-22 | | Release date: | 2019-03-06 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development.
PLoS Pathog., 15, 2019
|
|
4AZ8
 | | Crystal structure of the complex of the Caf1M:Caf1 chaperone:subunit preassembly complex carrying the KDKDTN insertion at the F1G1 loop region | | Descriptor: | CHAPERONE PROTEIN CAF1M, F1 CAPSULE ANTIGEN | | Authors: | Yu, X.D, Dubnovitsky, A, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V. | | Deposit date: | 2012-06-24 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway.
Structure, 20, 2012
|
|
4AY0
 | | High resolution crystal structure of the monomeric subunit-free Caf1M chaperone | | Descriptor: | CHAPERONE PROTEIN CAF1M | | Authors: | Yu, X.D, Dubnovitsky, A, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V. | | Deposit date: | 2012-06-16 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway.
Structure, 20, 2012
|
|
4B0E
 | | Crystal structure of the Caf1A usher protein N-terminal domain from Yersinia pestis | | Descriptor: | F1 CAPSULE-ANCHORING PROTEIN | | Authors: | Dubnovitsky, A, Yu, X.D, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V. | | Deposit date: | 2012-07-02 | | Release date: | 2012-09-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway.
Structure, 20, 2012
|
|
4B0M
 | | Complex of the Caf1AN usher domain, Caf1M chaperone and Caf1 subunit from Yersinia pestis | | Descriptor: | CHAPERONE PROTEIN CAF1M, F1 CAPSULE ANTIGEN, F1 CAPSULE-ANCHORING PROTEIN | | Authors: | Dubnovitsky, A, Yu, X.D, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V. | | Deposit date: | 2012-07-03 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway.
Structure, 20, 2012
|
|
6M1J
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
|
|
6M1S
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
|
|
5JLJ
 | | Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ... | | Authors: | Fung, H.Y, Chook, Y.M. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016
|
|
5JW8
 | |
2DWR
 | |
3W2D
 | | 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
|
|
8WC7
 | | Cryo-EM structure of the ZH8667-bound mTAAR1-Gs complex | | Descriptor: | 2-[4-(3-fluorophenyl)phenyl]ethanamine, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
|
|
8WC3
 | | Cryo-EM structure of the SEP363856-bound mTAAR1-Gs complex | | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
|
|
