5WJJ
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![BU of 5wjj by Molmil](/molmil-images/mine/5wjj) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | Deposit date: | 2017-07-23 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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6BOW
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1AHD
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![BU of 1ahd by Molmil](/molmil-images/mine/1ahd) | DETERMINATION OF THE NMR SOLUTION STRUCTURE OF AN ANTENNAPEDIA HOMEODOMAIN-DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), Homeotic protein antennapedia | Authors: | Billeter, M, Qian, Y.Q, Otting, G, Muller, M, Gehring, W.J, Wuthrich, K. | Deposit date: | 1993-04-02 | Release date: | 1993-10-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Determination of the nuclear magnetic resonance solution structure of an Antennapedia homeodomain-DNA complex. J.Mol.Biol., 234, 1993
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1BHI
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![BU of 1bhi by Molmil](/molmil-images/mine/1bhi) | STRUCTURE OF TRANSACTIVATION DOMAIN OF CRE-BP1/ATF-2, NMR, 20 STRUCTURES | Descriptor: | CRE-BP1 | Authors: | Nagadoi, A, Nakazawa, K, Uda, H, Maekawa, T, Ishii, S, Nishimura, Y. | Deposit date: | 1998-06-09 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the transactivation domain of ATF-2 comprising a zinc finger-like subdomain and a flexible subdomain. J.Mol.Biol., 287, 1999
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6G92
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6G9A
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1BI8
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![BU of 1bi8 by Molmil](/molmil-images/mine/1bi8) | MECHANISM OF G1 CYCLIN DEPENDENT KINASE INHIBITION FROM THE STRUCTURES CDK6-P19INK4D INHIBITOR COMPLEX | Descriptor: | CYCLIN-DEPENDENT KINASE 6, CYCLIN-DEPENDENT KINASE INHIBITOR | Authors: | Russo, A.A, Tong, L, Lee, J.O, Jeffrey, P.D, Pavletich, N.P. | Deposit date: | 1998-06-22 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for inhibition of the cyclin-dependent kinase Cdk6 by the tumour suppressor p16INK4a. Nature, 395, 1998
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5HD7
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![BU of 5hd7 by Molmil](/molmil-images/mine/5hd7) | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
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6FLV
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1AW6
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![BU of 1aw6 by Molmil](/molmil-images/mine/1aw6) | GAL4 (CD), NMR, 24 STRUCTURES | Descriptor: | CADMIUM ION, GAL4 (CD) | Authors: | Baleja, J.D, Wagner, G. | Deposit date: | 1997-10-10 | Release date: | 1998-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined solution structure of the DNA-binding domain of GAL4 and use of 3J(113Cd,1H) in structure determination. J.Biomol.NMR, 10, 1997
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1HU0
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![BU of 1hu0 by Molmil](/molmil-images/mine/1hu0) | CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX | Descriptor: | 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE, ... | Authors: | Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L. | Deposit date: | 2001-01-03 | Release date: | 2003-02-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Product-Assisted Catalysis in base-excision DNA Repair Nat.Struct.Biol., 10, 2003
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1AQ1
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![BU of 1aq1 by Molmil](/molmil-images/mine/1aq1) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE | Descriptor: | CYCLIN-DEPENDENT PROTEIN KINASE 2, STAUROSPORINE | Authors: | Endicott, J.A, Noble, M.E.M, Johnson, L.N, Lawrie, A, Tunnah, P, Brown, N.R. | Deposit date: | 1997-08-05 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2. Nat.Struct.Biol., 4, 1997
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7K11
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7K19
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![BU of 7k19 by Molmil](/molmil-images/mine/7k19) | CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex I) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-07 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
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7K10
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6O60
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![BU of 6o60 by Molmil](/molmil-images/mine/6o60) | Crystal structure of GGTase3-FBXL2-SKP1 complex | Descriptor: | F-box/LRR-repeat protein 2, Geranylgeranyl transferase type-2 subunit beta, Protein prenyltransferase alpha subunit repeat-containing protein 1, ... | Authors: | Wang, H, Zheng, N. | Deposit date: | 2019-03-04 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | GGTase3 is a newly identified geranylgeranyltransferase targeting a ubiquitin ligase. Nat.Struct.Mol.Biol., 26, 2019
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1YAT
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4F6S
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![BU of 4f6s by Molmil](/molmil-images/mine/4f6s) | Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Cyclin-C, ... | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | Deposit date: | 2012-05-15 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
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8SCZ
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8SD0
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7M4T
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![BU of 7m4t by Molmil](/molmil-images/mine/7m4t) | Menin bound to M-1121 | Descriptor: | Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate | Authors: | Stuckey, J. | Deposit date: | 2021-03-22 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression. J.Med.Chem., 64, 2021
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1YQJ
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![BU of 1yqj by Molmil](/molmil-images/mine/1yqj) | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | Descriptor: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | Deposit date: | 2005-02-01 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 15, 2005
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6LS5
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![BU of 6ls5 by Molmil](/molmil-images/mine/6ls5) | Structure of human liver FBPase complexed with covalent allosteric inhibitor | Descriptor: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | Deposit date: | 2020-01-17 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction. J.Med.Chem., 63, 2020
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8WRZ
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![BU of 8wrz by Molmil](/molmil-images/mine/8wrz) | Cry-EM structure of cannabinoid receptor-arrestin 2 complex | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... | Authors: | Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. | Deposit date: | 2023-10-16 | Release date: | 2024-02-28 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex. Protein Cell, 15, 2024
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4CR2
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![BU of 4cr2 by Molmil](/molmil-images/mine/4cr2) | Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome | Descriptor: | 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ... | Authors: | Unverdorben, P, Beck, F, Sledz, P, Schweitzer, A, Pfeifer, G, Plitzko, J.M, Baumeister, W, Foerster, F. | Deposit date: | 2014-02-25 | Release date: | 2014-04-02 | Last modified: | 2018-10-03 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Deep Classification of a Large Cryo-Em Dataset Defines the Conformational Landscape of the 26S Proteasome. Proc.Natl.Acad.Sci.USA, 111, 2014
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