4QT0
 
 | | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID | | Descriptor: | 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | | Authors: | Kolappan, S, Craig, L. | | Deposit date: | 2014-07-06 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
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4QUT
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12 | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ... | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-12 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
J Mol Cell Biol, 8, 2016
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4A13
 | | model refined against symmetry-free cryo-EM map of TRiC-ADP | | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | | Deposit date: | 2011-09-13 | | Release date: | 2012-02-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (11.3 Å) | | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
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4QQD
 | | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-08-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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4QR4
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | Descriptor: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
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4ALD
 | | HUMAN MUSCLE FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE COMPLEXED WITH FRUCTOSE 1,6-BISPHOSPHATE | | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-BISPHOSPHATE ALDOLASE | | Authors: | Dalby, A.R, Dauter, Z, Littlechild, J.A. | | Deposit date: | 1998-07-26 | | Release date: | 1999-03-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications.
Protein Sci., 8, 1999
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5LZV
 | | Structure of the mammalian ribosomal termination complex with accommodated eRF1(AAQ) and ABCE1. | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | | Authors: | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | | Deposit date: | 2016-10-02 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
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5M3A
 | | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 2 | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | | Authors: | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | | Deposit date: | 2016-10-14 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design.
J. Med. Chem., 60, 2017
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4R69
 | | Lactate Dehydrogenase in complex with inhibitor compound 13 | | Descriptor: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2014-08-22 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
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3ZYM
 | | Structure of CALM (PICALM) in complex with VAMP8 | | Descriptor: | GLYCEROL, PHOSPHATE ION, PHOSPHATIDYLINOSITOL-BINDING CLATHRIN ASSEMBLY PROTEIN, ... | | Authors: | Miller, S.E, Sahlender, D.A, Graham, S.C, Honing, S, Robinson, M.S, Peden, A.A, Owen, D.J. | | Deposit date: | 2011-08-23 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The molecular basis for the endocytosis of small R-SNAREs by the clathrin adaptor CALM.
Cell, 147, 2011
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4J8M
 | | Aurora A in complex with CD532 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Aurora kinase A, ... | | Authors: | Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A. | | Deposit date: | 2013-02-14 | | Release date: | 2014-09-10 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Drugging MYCN through an Allosteric Transition in Aurora Kinase A.
Cancer Cell, 26, 2014
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3ZN0
 | | LSD1-CoREST in complex with PRSFAA peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... | | Authors: | Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. | | Deposit date: | 2013-02-13 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
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4QYD
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4LDI
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3ZMT
 | | LSD1-CoREST in complex with PRSFLV peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... | | Authors: | Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. | | Deposit date: | 2013-02-12 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
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3ZYU
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A) | | Descriptor: | 1,2-ETHANEDIOL, 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C.W, Mirguet, O. | | Deposit date: | 2011-08-25 | | Release date: | 2011-11-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of Bet Recruitment to Chromatin as an Effective Treatment for Mll-Fusion Leukaemia.
Nature, 478, 2011
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3ZMZ
 | | LSD1-CoREST in complex with PRSFAV peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... | | Authors: | Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. | | Deposit date: | 2013-02-13 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
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2PHE
 | | Model for VP16 binding to PC4 | | Descriptor: | Alpha trans-inducing protein, TRANSCRIPTIONAL COACTIVATOR PC4 | | Authors: | Jonker, H.R.A, Wechselberger, R.W, Boelens, R, Folkers, G.E, Kaptein, R. | | Deposit date: | 2007-04-11 | | Release date: | 2007-04-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Properties of the Promiscuous VP16 Activation Domain
Biochemistry, 44, 2005
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4QXH
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4CL9
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295 | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | | Authors: | Chung, C, Atkinson, S. | | Deposit date: | 2014-01-13 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes.
Medchemcomm, 5, 2014
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4RAO
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.871 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
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5NOV
 | | Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione | | Descriptor: | 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | | Deposit date: | 2017-04-13 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
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5N7F
 | | MAGI-1 complexed with a pRSK1 peptide | | Descriptor: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | | Authors: | Gogl, G, Nyitray, L. | | Deposit date: | 2017-02-20 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dynamic control of RSK complexes by phosphoswitch-based regulation.
FEBS J., 285, 2018
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4CXH
 | | Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement | | Descriptor: | 18S RRNA - H44, 18S RRNA - H5-H14, 18S RRNA - H8, ... | | Authors: | Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T. | | Deposit date: | 2014-04-07 | | Release date: | 2014-07-16 | | Last modified: | 2019-06-26 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement.
Cell(Cambridge,Mass.), 158, 2014
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4R6E
 | | Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib | | Descriptor: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Karlberg, T, Thorsell, A.G, Brock, J, Schuler, H. | | Deposit date: | 2014-08-25 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
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