3NWW
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![BU of 3nww by Molmil](/molmil-images/mine/3nww) | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | Descriptor: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-07-12 | Release date: | 2010-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1KF0
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![BU of 1kf0 by Molmil](/molmil-images/mine/1kf0) | Crystal Structure of Pig Muscle Phosphoglycerate Kinase Ternary Complex with AMP-PCP and 3PG | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Kovari, Z, Flachner, B, Naray-Szabo, G, Vas, M. | Deposit date: | 2001-11-19 | Release date: | 2002-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic and thiol-reactivity studies on the complex of pig muscle phosphoglycerate kinase with ATP analogues: correlation between nucleotide binding mode and helix flexibility. Biochemistry, 41, 2002
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5EM4
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![BU of 5em4 by Molmil](/molmil-images/mine/5em4) | Structure of CYP2B4 F244W in a ligand free conformation | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-11-05 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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8BLU
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![BU of 8blu by Molmil](/molmil-images/mine/8blu) | The PDZ domains of human SDCBP | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-10 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The PDZ domains of human SDCBP To Be Published
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8BEN
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![BU of 8ben by Molmil](/molmil-images/mine/8ben) | LRR domain Structure of the LRRC8C protein | Descriptor: | Volume-regulated anion channel subunit LRRC8C | Authors: | Sawicka, M, Dutzler, R. | Deposit date: | 2022-10-21 | Release date: | 2022-12-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of a volume-regulated heteromeric LRRC8A/C channel. Nat.Struct.Mol.Biol., 30, 2023
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2ZVL
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![BU of 2zvl by Molmil](/molmil-images/mine/2zvl) | Crystal structure of PCNA in complex with DNA polymerase kappa fragment | Descriptor: | DNA polymerase kappa, Proliferating cell nuclear antigen, SULFATE ION, ... | Authors: | Hishiki, A, Hashimoto, H, Hanafusa, T, Kamei, K, Ohashi, E, Shimizu, T, Ohmori, H, Sato, M. | Deposit date: | 2008-11-11 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Novel Interactions between Human Translesion Synthesis Polymerases and Proliferating Cell Nuclear Antigen J.Biol.Chem., 284, 2009
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3ORX
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![BU of 3orx by Molmil](/molmil-images/mine/3orx) | PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8 | Descriptor: | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION | Authors: | Sadowsky, J.D, Wells, J.A. | Deposit date: | 2010-09-08 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2044 Å) | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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8BLV
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![BU of 8blv by Molmil](/molmil-images/mine/8blv) | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Syndecan-4, ... | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-10 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide To Be Published
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3TG1
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![BU of 3tg1 by Molmil](/molmil-images/mine/3tg1) | |
3TDH
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![BU of 3tdh by Molmil](/molmil-images/mine/3tdh) | Structure of the regulatory fragment of sccharomyces cerevisiae AMPK in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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8B8T
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![BU of 8b8t by Molmil](/molmil-images/mine/8b8t) | Open conformation of the complex of DNA ligase I on PCNA and DNA in the presence of ATP | Descriptor: | DNA ligase 1, Proliferating cell nuclear antigen | Authors: | Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. | Deposit date: | 2022-10-05 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun, 13, 2022
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4BA9
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![BU of 4ba9 by Molmil](/molmil-images/mine/4ba9) | The structural basis for the coordination of Y-family Translesion DNA Polymerases by Rev1 | Descriptor: | DNA POLYMERASE KAPPA, DNA REPAIR PROTEIN REV1, MAGNESIUM ION, ... | Authors: | Grummitt, C.G, Kilkenny, M.L, Frey, A, Roe, S.M, Oliver, A.W, Sale, J.E, Pearl, L.H. | Deposit date: | 2012-09-12 | Release date: | 2013-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The Structural Basis for the Coordination of Y- Family Translesion DNA Polymerases by Rev1 To be Published
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8BXX
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![BU of 8bxx by Molmil](/molmil-images/mine/8bxx) | Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in complex with NAD and azide. | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ... | Authors: | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | Deposit date: | 2022-12-10 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | From the amelioration of a NADP+-dependent formate dehydrogenase to the discovery of a new enzyme: round trip from theory to practice ChemCatChem, 2020
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3BQ4
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![BU of 3bq4 by Molmil](/molmil-images/mine/3bq4) | |
8BKD
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![BU of 8bkd by Molmil](/molmil-images/mine/8bkd) | structure of RutB | Descriptor: | N-(AMINOCARBONYL)-BETA-ALANINE, Ureidoacrylate amidohydrolase RutB | Authors: | Rajendran, C. | Deposit date: | 2022-11-09 | Release date: | 2023-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Functional Characterization of the Ureidoacrylate Amidohydrolase RutB from Escherichia coli . Biochemistry, 62, 2023
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3OEF
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![BU of 3oef by Molmil](/molmil-images/mine/3oef) | Crystal structure of Y323F inactive mutant of p38alpha MAP kinase | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2010-08-12 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
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8BVL
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8BLM
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![BU of 8blm by Molmil](/molmil-images/mine/8blm) | Structure of RutB | Descriptor: | Ureidoacrylate amidohydrolase RutB | Authors: | Rajendran, C. | Deposit date: | 2022-11-09 | Release date: | 2023-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Characterization of the Ureidoacrylate Amidohydrolase RutB from Escherichia coli . Biochemistry, 62, 2023
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4IUQ
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![BU of 4iuq by Molmil](/molmil-images/mine/4iuq) | crystal structure of SHH1 SAWADEE domain | Descriptor: | CYMAL-4, SAWADEE HOMEODOMAIN HOMOLOG 1, ZINC ION | Authors: | Du, J, Patel, D.J. | Deposit date: | 2013-01-21 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Polymerase IV occupancy at RNA-directed DNA methylation sites requires SHH1. Nature, 498, 2013
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4IVY
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![BU of 4ivy by Molmil](/molmil-images/mine/4ivy) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a | Descriptor: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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1LE8
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![BU of 1le8 by Molmil](/molmil-images/mine/1le8) | Crystal Structure of the MATa1/MATalpha2-3A Heterodimer Bound to DNA Complex | Descriptor: | 5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*AP*AP*AP*TP*TP*TP*AP*CP*AP*TP*CP*A)-3', 5'-D(*TP*TP*GP*AP*TP*GP*TP*AP*AP*AP*TP*TP*TP*TP*TP*AP*CP*AP*TP*G)-3', MATING-TYPE PROTEIN A-1, ... | Authors: | Ke, A, Mathias, J.R, Vershon, A.K, Wolberger, C. | Deposit date: | 2002-04-09 | Release date: | 2002-05-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Thermodynamic Characterization of the DNA Binding Properties of a Triple Alanine Mutant of MATalpha2 Structure, 10, 2002
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4J5S
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![BU of 4j5s by Molmil](/molmil-images/mine/4j5s) | TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex | Descriptor: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ... | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
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1V0J
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![BU of 1v0j by Molmil](/molmil-images/mine/1v0j) | Udp-galactopyranose mutase from Mycobacterium tuberculosis | Descriptor: | BICINE, FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE | Authors: | Beis, K, Naismith, J.H. | Deposit date: | 2004-03-30 | Release date: | 2005-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of Mycobacteria tuberculosis and Klebsiella pneumoniae UDP-galactopyranose mutase in the oxidised state and Klebsiella pneumoniae UDP-galactopyranose mutase in the (active) reduced state. J. Mol. Biol., 348, 2005
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2ZB0
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![BU of 2zb0 by Molmil](/molmil-images/mine/2zb0) | Crystal structure of P38 in complex with biphenyl amide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | Authors: | Somers, D.O. | Deposit date: | 2007-10-13 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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3OBJ
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![BU of 3obj by Molmil](/molmil-images/mine/3obj) | |