2UZD
 
 | | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | Deposit date: | 2007-04-27 | | Release date: | 2007-06-26 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
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4WFZ
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8H7M
 | | Structure of nanobody 11A in complex with parathion | | Descriptor: | Nanobody 11A, parathion | | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | | Deposit date: | 2022-10-20 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure of nanobody 11A in complex with parathion
To Be Published
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2V06
 | | Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis at pH 5.5 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SER-THR PHOSPHATASE MSPP | | Authors: | Wehenkel, A, Bellinzoni, M, Schaeffer, F, Villarino, A, Alzari, P.M. | | Deposit date: | 2007-05-08 | | Release date: | 2007-10-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structural and Binding Studies of the Three-Metal Center in Two Mycobacterial Ppm Ser/Thr Protein Phosphatases.
J.Mol.Biol., 374, 2007
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4WG5
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2UZG
 | | Zf-UBP domain of VDU1 | | Descriptor: | UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 33, ZINC ION | | Authors: | Allen, M.D, Bycroft, M. | | Deposit date: | 2007-04-27 | | Release date: | 2007-05-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Solution Structure of the Znf Ubp Domain of Usp33/Vdu1.
Protein Sci., 16, 2007
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8H7J
 | | The crystal structure of CD163 SRCR5-9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor cysteine-rich type 1 protein M130, ... | | Authors: | Luo, Z.P, Li, R, Ma, H.F. | | Deposit date: | 2022-10-20 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of CD163 SRCR5-9
To Be Published
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4WH9
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | | Descriptor: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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8HQE
 | | Cryo-EM structure of the apo-GPR132-Gi | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-11 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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2VCA
 | | Family 89 glycoside hydrolase from Clostridium perfringens in complex with beta-N-acetyl-D-glucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, ... | | Authors: | Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2007-09-19 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
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7ZWO
 | | Crystal structure of human BCL6 BTB domain in complex with compound 2 | | Descriptor: | (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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2VDP
 | | Integrin AlphaIIbBeta3 Headpiece Bound to Fibrinogen Gamma chain peptide,LGGAKQAGDV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN, ... | | Authors: | Springer, T.A, Zhu, J, Xiao, T. | | Deposit date: | 2007-10-10 | | Release date: | 2008-09-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3.
J.Cell Biol., 182, 2008
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8H4X
 | | Structure of cleaved Serpin B9 | | Descriptor: | 1,2-ETHANEDIOL, Serpin B9, ZINC ION | | Authors: | Zhou, A, Yan, T. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Expression, purification and crystallization of cleaved Serpin B9
To Be Published
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7ZWS
 | | Crystal structure of human BCL6 BTB domain in complex with compound 13 | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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4WHK
 | | A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 | | Descriptor: | C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, Serine/threonine-protein kinase PLK1 | | Authors: | Bang, J.K, Han, Y.H, Ahn, M.J, Lee, K.S. | | Deposit date: | 2014-09-23 | | Release date: | 2014-12-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
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2UZ6
 | | AChBP-targeted a-conotoxin correlates distinct binding orientations with nAChR subtype selectivity. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-CONOTOXIN TXIA(A10L), GLYCEROL, ... | | Authors: | Ulens, C, Dutertre, S, Buttner, R, Fish, A, van Elk, R, Kendel, Y, Hopping, G, Alewood, P.F, Schroeder, C, Nicke, A, Smit, A.B, Sixma, T.K, Lewis, R.J. | | Deposit date: | 2007-04-25 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Achbp-Targeted Alpha-Conotoxin Correlates Distinct Binding Orientations with Nachr Subtype Selectivity
Embo J., 26, 2007
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8H5L
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4WHO
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8H6H
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2UZI
 | | Crystal structure of HRAS(G12V) - anti-RAS Fv complex | | Descriptor: | ANTI-RAS FV HEAVY CHAIN, ANTI-RAS FV LIGHT CHAIN, GTPASE HRAS, ... | | Authors: | Tanaka, T, williams, R.L, Rabbitts, T.H. | | Deposit date: | 2007-04-27 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tumour Prevention by a Single Antibody Domain Targeting the Interaction of Signal Transduction Proteins with Ras.
Embo J., 26, 2007
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4WHY
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2VEA
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8H2W
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4WHG
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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8HBK
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Lin, M. | | Deposit date: | 2022-10-29 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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