1APH
 
 | | CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11 | | Descriptor: | 1,2-DICHLOROETHANE, INSULIN A CHAIN (PH 7), INSULIN B CHAIN (PH 7) | | Authors: | Gursky, O, Badger, J, Li, Y, Caspar, D.L.D. | | Deposit date: | 1992-10-30 | | Release date: | 1993-01-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational changes in cubic insulin crystals in the pH range 7-11.
Biophys.J., 63, 1992
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5T0L
 | | Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15) | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ... | | Authors: | Thomas, S.B, Chen, Z, Lu, H, Li, Y. | | Deposit date: | 2016-08-16 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design.
ACS Med Chem Lett, 7, 2016
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4WMH
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8HDK
 | | Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (minor class in symmetry) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S. | | Deposit date: | 2022-11-04 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
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5XI2
 | | BRD4 bound with compound Bdi2 | | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D, Li, Y. | | Deposit date: | 2017-04-25 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | BRD4 bound with compound Bdi2
To Be Published
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5TF2
 | | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN | | Descriptor: | Prolactin regulatory element-binding protein, UNKNOWN ATOM OR ION | | Authors: | Walker, J.R, Zhang, Q, Dong, A, Wernimont, A, Li, Y, He, H, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Chen, Z, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-23 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN (CASP target)
To be published
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7YNX
 | | Crystal structure of Pirh2 bound to poly-Ala peptide | | Descriptor: | RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ... | | Authors: | Dong, C, Yan, X, Li, Y. | | Deposit date: | 2022-08-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
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5MSZ
 | | Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | | Authors: | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | | Deposit date: | 2017-01-06 | | Release date: | 2018-02-28 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion.
Nat Commun, 9, 2018
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2AXJ
 | | Crystal structures of T cell receptor beta chains related to rheumatoid arthritis | | Descriptor: | SF4 T cell receptor beta chain | | Authors: | Li, H, Van Vranken, S, Zhao, Y, Li, Z, Guo, Y, Eisele, L, Li, Y. | | Deposit date: | 2005-09-05 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis.
Protein Sci., 14, 2005
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2AXH
 | | Crystal structures of T cell receptor beta chains related to rheumatoid arthritis | | Descriptor: | T cell receptor beta chain | | Authors: | Li, H, Van Vranken, S, Zhao, Y, Li, Z, Guo, Y, Eisele, L, Li, Y. | | Deposit date: | 2005-09-05 | | Release date: | 2005-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis.
Protein Sci., 14, 2005
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5JLY
 | | Structure of Peroxiredoxin-1 from Schistosoma japonicum | | Descriptor: | Thioredoxin peroxidase-1 | | Authors: | Wu, Q, Huang, F, Zeng, D, Liu, X, Zhao, J, Wang, H, Peng, Y, Li, P, Li, Y. | | Deposit date: | 2016-04-27 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.051 Å) | | Cite: | Crystal structure of Peroxiredoxin-1 from Schistosoma japonicum
To Be Published
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1G9I
 | | CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE | | Descriptor: | BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ... | | Authors: | Zhu, G, Huang, Q, Zhu, Y, Li, Y, Chi, C, Tang, Y. | | Deposit date: | 2000-11-24 | | Release date: | 2000-12-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-Ray study on an artificial mung bean inhibitor complex with bovine beta-trypsin in neat cyclohexane.
Biochim.Biophys.Acta, 1546, 2001
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9C1Q
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | Deposit date: | 2024-05-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
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8T55
 | | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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1A4I
 | | HUMAN TETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE | | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE / METHENYLTETRAHYDROFOLATE CYCLOHYDROLASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Allaire, M, Li, Y, Mackenzie, R.E, Cygler, M. | | Deposit date: | 1998-01-30 | | Release date: | 1999-02-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 3-D structure of a folate-dependent dehydrogenase/cyclohydrolase bifunctional enzyme at 1.5 A resolution.
Structure, 6, 1998
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3ECR
 | | Structure of human porphobilinogen deaminase | | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase | | Authors: | Song, G, Li, Y, Cheng, C, Zhao, Y, Gao, A, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.J. | | Deposit date: | 2008-09-01 | | Release date: | 2008-09-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Structural insight into acute intermittent porphyria.
Faseb J., 23, 2009
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3EBQ
 | | Crystal structure of human PPPDE1 | | Descriptor: | MERCURY (II) ION, MOLECULE: PPPDE1 (PERMUTED PAPAIN FOLD PEPTIDASES OF DSRNA VIRUSES AND EUKARYOTES 1), UPF0326 protein FAM152B | | Authors: | Walker, J.R, Akutsu, M, Qiu, L, Li, Y, Slessarev, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-28 | | Release date: | 2008-11-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Human PPPDE1
To be Published
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1L4U
 | | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | | Deposit date: | 2002-03-05 | | Release date: | 2002-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
J.Mol.Biol., 319, 2002
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5K8L
 | | Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | | Authors: | Cao, X, Li, Y, Jin, T. | | Deposit date: | 2016-05-30 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
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5K8U
 | | Crystal structure of ZIKV NS3 helicase in complex with ADP and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Cao, X, Li, Y, Jin, T. | | Deposit date: | 2016-05-31 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
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5K8I
 | | Crystal structure of ZIKV NS3 helicase in complex with ATP and Mn2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Cao, X, Li, Y, Jin, T. | | Deposit date: | 2016-05-30 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.694 Å) | | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
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5K8T
 | | Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S and an magnesium ion | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Cao, X, Li, Y, Jin, T. | | Deposit date: | 2016-05-31 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
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4H53
 | | Influenza N2-Tyr406Asp neuraminidase in complex with beta-Neu5Ac | | Descriptor: | 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, ... | | Authors: | Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F. | | Deposit date: | 2012-09-18 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
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5JWH
 | | Apo structure | | Descriptor: | 1,2-ETHANEDIOL, NS3 helicase | | Authors: | Cao, X, Li, Y, Jin, T. | | Deposit date: | 2016-05-12 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
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