8OY2
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![BU of 8oy2 by Molmil](/molmil-images/mine/8oy2) | Human cyclin-dependent kinase 2 in complex with inhibitor HB-29260 | Descriptor: | (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kordes, S, Harvey, C.J.B. | Deposit date: | 2023-05-03 | Release date: | 2023-11-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.618 Å) | Cite: | Resistance gene-guided genome mining reveals the roseopurpurins as inhibitors of cyclin-dependent kinases. Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZTK
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![BU of 7ztk by Molmil](/molmil-images/mine/7ztk) | NME1 in complex with CoA | Descriptor: | COENZYME A, Nucleoside diphosphate kinase A | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | Deposit date: | 2022-05-10 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
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1ZME
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![BU of 1zme by Molmil](/molmil-images/mine/1zme) | CRYSTAL STRUCTURE OF PUT3/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*AP*GP*(5IU)P*TP*GP*GP*CP*TP*(5IU)P*CP*CP*CP*G)-3'), DNA (5'-D(*AP*CP*GP*GP*GP*AP*AP*GP*CP*CP*AP*AP*CP*TP*CP*CP*G)-3'), PROLINE UTILIZATION TRANSCRIPTION ACTIVATOR, ... | Authors: | Swaminathan, K, Marmorstein, R. | Deposit date: | 1997-08-06 | Release date: | 1998-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a PUT3-DNA complex reveals a novel mechanism for DNA recognition by a protein containing a Zn2Cys6 binuclear cluster. Nat.Struct.Biol., 4, 1997
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7ZHF
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7ZHK
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5K4J
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![BU of 5k4j by Molmil](/molmil-images/mine/5k4j) | Crystal Structure of CDK2 in complex with compound 22 | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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8AG2
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![BU of 8ag2 by Molmil](/molmil-images/mine/8ag2) | Crystal structure of the BPTF bromodomain in complex with BI-7190 | Descriptor: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-07-19 | Release date: | 2022-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.025 Å) | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
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5KPO
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![BU of 5kpo by Molmil](/molmil-images/mine/5kpo) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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2C6O
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![BU of 2c6o by Molmil](/molmil-images/mine/2c6o) | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | Descriptor: | CELL DIVISION PROTEIN KINASE 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2005-11-10 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Bioorg. Med. Chem. Lett., 16, 2006
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2C6L
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![BU of 2c6l by Molmil](/molmil-images/mine/2c6l) | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | Descriptor: | 4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2005-11-10 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar. Bioorg.Med.Chem.Lett., 16, 2006
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2C6T
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![BU of 2c6t by Molmil](/molmil-images/mine/2c6t) | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | Descriptor: | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2005-11-11 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar. Bioorg.Med.Chem.Lett., 16, 2006
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5KPQ
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![BU of 5kpq by Molmil](/molmil-images/mine/5kpq) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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8Q7E
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4RAU
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4QPP
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![BU of 4qpp by Molmil](/molmil-images/mine/4qpp) | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE | Descriptor: | 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ... | Authors: | Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-08-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Crystal Structure of Human HMT1
hnRNP methyltransferase-like protein 6 in complex with compound DS-421 To be Published
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5L2I
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![BU of 5l2i by Molmil](/molmil-images/mine/5l2i) | The X-ray co-crystal structure of human CDK6 and Palbociclib. | Descriptor: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6 | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-01 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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4RA2
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![BU of 4ra2 by Molmil](/molmil-images/mine/4ra2) | PP2Ca | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | Deposit date: | 2014-09-09 | Release date: | 2015-05-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The catalytic role of the M2 metal ion in PP2Ca SCI REP, 2015
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1EO0
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![BU of 1eo0 by Molmil](/molmil-images/mine/1eo0) | CONSERVED DOMAIN COMMON TO TRANSCRIPTION FACTORS TFIIS, ELONGIN A, CRSP70 | Descriptor: | TRANSCRIPTION ELONGATION FACTOR S-II | Authors: | Booth, V, Koth, C, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-03-21 | Release date: | 2000-05-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of a conserved domain common to the transcription factors TFIIS, elongin A, and CRSP70 J.Biol.Chem., 275, 2000
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4RBO
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2ASS
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![BU of 2ass by Molmil](/molmil-images/mine/2ass) | Crystal structure of the Skp1-Skp2-Cks1 complex | Descriptor: | BENZAMIDINE, Cyclin-dependent kinases regulatory subunit 1, PHOSPHATE ION, ... | Authors: | Hao, B, Zhang, N, Schulman, B.A, Wu, G, Pagano, M, Pavletich, N.P. | Deposit date: | 2005-08-24 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of the Cks1-Dependent Recognition of p27(Kip1) by the SCF(Skp2) Ubiquitin Ligase. Mol.Cell, 20, 2005
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8AFN
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![BU of 8afn by Molmil](/molmil-images/mine/8afn) | Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 | Descriptor: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-07-18 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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4QS7
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8AV0
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![BU of 8av0 by Molmil](/molmil-images/mine/8av0) | small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3 | Descriptor: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-08-26 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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3O4M
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![BU of 3o4m by Molmil](/molmil-images/mine/3o4m) | Crystal structure of porcine pancreatic phospholipase A2 in complex with 1,2-dihydroxybenzene | Descriptor: | CALCIUM ION, CATECHOL, Phospholipase A2, ... | Authors: | Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C. | Deposit date: | 2010-07-27 | Release date: | 2010-08-25 | Last modified: | 2011-11-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding to PLA(2) may contribute to the anti-inflammatory activity of catechol Chem.Biol.Drug Des., 2011
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4QTR
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![BU of 4qtr by Molmil](/molmil-images/mine/4qtr) | Computational design of co-assembling protein-DNA nanowires | Descriptor: | DNA (5'-D(P*CP*GP*GP*AP*AP*AP*TP*TP*AP*AP*AP*TP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*AP*TP*TP*TP*AP*AP*TP*TP*TP*CP*C)-3'), dualENH | Authors: | Mou, Y, Mayo, S.L. | Deposit date: | 2014-07-08 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Computational design of co-assembling protein-DNA nanowires. Nature, 525, 2015
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