4MD9
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4L4S
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![BU of 4l4s by Molmil](/molmil-images/mine/4l4s) | Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain | Authors: | Dempster, S, Harper, S, Moses, J.E, Dreveny, I. | Deposit date: | 2013-06-09 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase. Acta Crystallogr.,Sect.D, 70, 2014
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4LNU
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![BU of 4lnu by Molmil](/molmil-images/mine/4lnu) | Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ... | Authors: | Cao, L, Gigant, B, Knossow, M. | Deposit date: | 2013-07-12 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement Nat Commun, 5, 2014
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4L6S
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![BU of 4l6s by Molmil](/molmil-images/mine/4l6s) | PARP complexed with benzo[1,4]oxazin-3-one inhibitor | Descriptor: | (2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Dougan, D.R, Mol, C.D, Lawson, J.D. | Deposit date: | 2013-06-12 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors Bioorg.Med.Chem.Lett., 23, 2013
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4KXW
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![BU of 4kxw by Molmil](/molmil-images/mine/4kxw) | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2 | Descriptor: | 1,2-ETHANEDIOL, D-XYLITOL-5-PHOSPHATE, MAGNESIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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4LDD
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2W1C
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![BU of 2w1c by Molmil](/molmil-images/mine/2w1c) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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4MR3
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![BU of 4mr3 by Molmil](/molmil-images/mine/4mr3) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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2V7Z
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![BU of 2v7z by Molmil](/molmil-images/mine/2v7z) | Crystal structure of the 70-kDa heat shock cognate protein from Rattus norvegicus in post-ATP hydrolysis state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK COGNATE 71 KDA PROTEIN, PHOSPHATE ION | Authors: | Chang, Y.-W, Sun, Y.-J, Wang, C, Hsiao, C.-D. | Deposit date: | 2007-08-02 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal Structures of the 70-kDa Heat Shock Proteins in Domain Disjoining Conformation. J.Biol.Chem., 283, 2008
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4MEQ
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![BU of 4meq by Molmil](/molmil-images/mine/4meq) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
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2X6D
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![BU of 2x6d by Molmil](/molmil-images/mine/2x6d) | Aurora-A bound to an inhibitor | Descriptor: | 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-02-17 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
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2WP2
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![BU of 2wp2 by Molmil](/molmil-images/mine/2wp2) | Structure of Brdt bromodomain BD1 bound to a diacetylated histone H4 peptide. | Descriptor: | BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H4 | Authors: | Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C. | Deposit date: | 2009-08-02 | Release date: | 2009-09-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain. Nature, 461, 2009
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2X2A
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![BU of 2x2a by Molmil](/molmil-images/mine/2x2a) | Free acetyl-CypA trigonal form | Descriptor: | GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, SULFATE ION | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-12 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization. Nat.Chem.Biol., 6, 2010
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4LDI
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2XAF
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![BU of 2xaf by Molmil](/molmil-images/mine/2xaf) | Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine | Descriptor: | 3-(4-BROMOPHENYL)PROPANAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | Deposit date: | 2010-03-31 | Release date: | 2010-05-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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2XAQ
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![BU of 2xaq by Molmil](/molmil-images/mine/2xaq) | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b) | Descriptor: | 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | Deposit date: | 2010-03-31 | Release date: | 2010-05-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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2X81
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![BU of 2x81 by Molmil](/molmil-images/mine/2x81) | STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054 | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A. | Deposit date: | 2010-03-05 | Release date: | 2010-05-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237. Acs Chem.Biol., 5, 2010
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2X2D
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![BU of 2x2d by Molmil](/molmil-images/mine/2x2d) | acetyl-CypA:HIV-1 N-term capsid domain complex | Descriptor: | CAPSID PROTEIN P24, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-12 | Release date: | 2010-03-23 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation Nat.Chem.Biol., 6, 2010
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4LG9
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![BU of 4lg9 by Molmil](/molmil-images/mine/4lg9) | Crystal structure of TBL1XR1 WD40 repeats | Descriptor: | F-box-like/WD repeat-containing protein TBL1XR1, UNKNOWN ATOM OR ION | Authors: | Xu, C, Tempel, W, He, H, Wu, X, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-27 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of TBL1XR1 WD40 repeats TO BE PUBLISHED
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2X2C
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![BU of 2x2c by Molmil](/molmil-images/mine/2x2c) | acetyl-CypA:cyclosporine complex | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-12 | Release date: | 2010-03-23 | Last modified: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation Nat.Chem.Biol., 6, 2010
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2V5Q
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![BU of 2v5q by Molmil](/molmil-images/mine/2v5q) | CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN | Descriptor: | DESIGN ANKYRIN REPEAT PROTEIN, SERINE/THREONINE-PROTEIN KINASE PLK1 | Authors: | Bandeiras, T.M, Hillig, R.C, Matias, P.M, Eberspaecher, U, Fanghaenel, J, Thomaz, M, Miranda, S, Crusius, K, Puetter, V, Amstutz, P, Gulotti-Georgieva, M, Binz, H.K, Holz, C, Schmitz, A.A.P, Lang, C, Donner, P, Egner, U, Carrondo, M.A, Mueller-Tiemann, B. | Deposit date: | 2007-07-08 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of wild-type Plk-1 kinase domain in complex with a selective DARPin. Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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2V1D
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![BU of 2v1d by Molmil](/molmil-images/mine/2v1d) | Structural basis of LSD1-CoREST selectivity in histone H3 recognition | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A. | Deposit date: | 2007-05-23 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition. J.Biol.Chem., 282, 2007
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2V6C
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4KXV
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![BU of 4kxv by Molmil](/molmil-images/mine/4kxv) | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, D-XYLITOL-5-PHOSPHATE, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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4KTT
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![BU of 4ktt by Molmil](/molmil-images/mine/4ktt) | Structural insights of MAT enzymes: MATa2b complexed with SAM | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine adenosyltransferase 2 subunit beta, ... | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | Deposit date: | 2013-05-21 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure and function study of the complex that synthesizes S-adenosylmethionine. IUCrJ, 1, 2014
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