5AL2
 
 | | Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | | Descriptor: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Nkizinkiko, Y, Lehtio, L. | | Deposit date: | 2015-03-06 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
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5WC2
 | | Crystal Structure of ADP-bound human TRIP13 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog | | Authors: | Jeong, B.-C, Luo, X. | | Deposit date: | 2017-06-29 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing.
Nat Commun, 8, 2017
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2UYI
 | | Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33 | | Descriptor: | (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Lee, T.T. | | Deposit date: | 2007-04-07 | | Release date: | 2007-05-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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5A4X
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7V1M
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5A5B
 | | Structure of the 26S proteasome-Ubp6 complex | | Descriptor: | 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ... | | Authors: | Aufderheide, A, Beck, F, Stengel, F, Hartwig, M, Schweitzer, A, Pfeifer, G, Goldberg, A.L, Sakata, E, Baumeister, W, Foerster, F. | | Deposit date: | 2015-06-17 | | Release date: | 2015-07-22 | | Last modified: | 2017-08-30 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | Structural Characterization of the Interaction of Ubp6 with the 26S Proteasome.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5A50
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7UFV
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
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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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5IAW
 | | Novel natural FXR modulator with a unique binding mode | | Descriptor: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | | Authors: | Lu, Y, Li, Y. | | Deposit date: | 2016-02-22 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
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5W5Q
 | | MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide) | | Descriptor: | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2017-06-15 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
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2UYM
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5AL5
 | | Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one | | Descriptor: | 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Nkizinkiko, Y, Lehtio, L. | | Deposit date: | 2015-03-06 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
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2V6Q
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4QSK
 | | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2014-07-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
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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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5YIV
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5AL3
 | | Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | | Descriptor: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Nkizinkiko, Y, Lehtio, L. | | Deposit date: | 2015-03-06 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
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4L8M
 | | Human p38 MAP kinase in complex with a Dibenzoxepinone | | Descriptor: | Mitogen-activated protein kinase 14, N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide, octyl beta-D-glucopyranoside | | Authors: | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | | Deposit date: | 2013-06-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood.
J.Med.Chem., 56, 2013
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5YGF
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4QSH
 | | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2014-07-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
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5AJA
 | | Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396) | | Descriptor: | PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ... | | Authors: | Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. | | Deposit date: | 2015-02-20 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx.
Cell Host Microbe., 17, 2015
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5A51
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5YQ4
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3FLQ
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