4MZ9
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![BU of 4mz9 by Molmil](/molmil-images/mine/4mz9) | Revised structure of E. coli SSB | Descriptor: | Single-stranded DNA-binding protein | Authors: | Oakley, A.J. | Deposit date: | 2013-09-29 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Intramolecular binding mode of the C-terminus of Escherichia coli single-stranded DNA binding protein determined by nuclear magnetic resonance spectroscopy. Nucleic Acids Res., 42, 2014
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6JLB
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378D
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![BU of 378d by Molmil](/molmil-images/mine/378d) | STRUCTURE OF THE SIDE-BY-SIDE BINDING OF DISTAMYCIN TO DNA | Descriptor: | DISTAMYCIN A, DNA (5'-D(*GP*TP*AP*TP*AP*TP*AP*C)-3'), SODIUM ION | Authors: | Mitra, S.N, Wahl, M.C, Sundaralingam, M. | Deposit date: | 1998-01-28 | Release date: | 1999-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the side-by-side binding of distamycin to d(GTATATAC)2. Acta Crystallogr.,Sect.D, 55, 1999
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5XR8
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![BU of 5xr8 by Molmil](/molmil-images/mine/5xr8) | Crystal structure of the human CB1 in complex with agonist AM841 | 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, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | Authors: | Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2017-06-07 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structures of agonist-bound human cannabinoid receptor CB1. Nature, 547, 2017
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7BPV
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![BU of 7bpv by Molmil](/molmil-images/mine/7bpv) | r(GUGGGCCGAC)/d(GTCGGCCCAC) hybrid duplex structure | Descriptor: | DNA (5'-D(P*GP*TP*CP*GP*GP*CP*CP*CP*AP*C)-3'), RNA (5'-R(P*GP*UP*GP*GP*GP*CP*CP*GP*AP*C)-3'), SULFATE ION | Authors: | Wang, S.C, Satange, R.B, Hou, M.H. | Deposit date: | 2020-03-23 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction. Nucleic Acids Res., 49, 2021
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2PCB
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2YPT
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![BU of 2ypt by Molmil](/molmil-images/mine/2ypt) | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A | Descriptor: | CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | Deposit date: | 2012-11-01 | Release date: | 2012-12-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies. Science, 339, 2013
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4JCY
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![BU of 4jcy by Molmil](/molmil-images/mine/4jcy) | Crystal structure of the Restriction-Modification Controller Protein C.Csp231I OR operator complex | Descriptor: | Csp231I C protein, DNA (5'-D(*AP*AP*AP*CP*TP*AP*AP*GP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*CP*TP*AP*AP*GP*AP*TP*TP*TP*TP*CP*TP*TP*AP*GP*TP*TP*T)-3'), ... | Authors: | Shevtsov, M.B, Streeter, S.D, Thresh, S.J, Mcgeehan, J.E, Kneale, G.G. | Deposit date: | 2013-02-22 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of DNA binding by C.Csp231I, a member of a novel class of R-M controller proteins regulating gene expression. Acta Crystallogr.,Sect.D, 71, 2015
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2NPZ
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![BU of 2npz by Molmil](/molmil-images/mine/2npz) | Crystal structure of junctioned hairpin ribozyme incorporating synthetic propyl linker | Descriptor: | 5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ... | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | Deposit date: | 2006-10-30 | Release date: | 2007-08-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | A posteriori design of crystal contacts to improve the X-ray diffraction properties of a small RNA enzyme. Acta Crystallogr.,Sect.D, 63, 2007
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4BXS
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![BU of 4bxs by Molmil](/molmil-images/mine/4bxs) | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A. | Deposit date: | 2013-07-15 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis. Blood, 122, 2013
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3NL0
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![BU of 3nl0 by Molmil](/molmil-images/mine/3nl0) | Mutant P44S M296I of Foot-and-mouth disease Virus RNA-dependent RNA polymerase | Descriptor: | 3D polymerase, 5'-R(*G*GP*GP*CP*CP*C)-3', 5'-R(P*UP*GP*GP*GP*CP*CP*C)-3', ... | Authors: | Agudo, R, Ferrer-Orta, C, Arias, A, Perez-Luque, R, Verdaguer, N, Domingo, E. | Deposit date: | 2010-06-21 | Release date: | 2011-07-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A multi-step process of viral adaptation to a mutagenic nucleoside analogue by modulation of transition types leads to extinction-escape. Plos Pathog., 6, 2010
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3KNA
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![BU of 3kna by Molmil](/molmil-images/mine/3kna) | M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA | Descriptor: | 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ... | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | Deposit date: | 2009-11-12 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin J.Virol., 84, 2010
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4DAI
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![BU of 4dai by Molmil](/molmil-images/mine/4dai) | Crystal structure of B. anthracis DHPS with compound 23 | Descriptor: | (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-12 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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1XS0
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![BU of 1xs0 by Molmil](/molmil-images/mine/1xs0) | Structure of the E. coli Ivy protein | Descriptor: | Inhibitor of vertebrate lysozyme | Authors: | Abergel, C, Monchois, V, Byrn, D, Lazzaroni, J.C, Claverie, J.M. | Deposit date: | 2004-10-18 | Release date: | 2004-11-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure and evolution of the Ivy protein family, unexpected lysozyme inhibitors in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 104, 2007
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1M57
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![BU of 1m57 by Molmil](/molmil-images/mine/1m57) | Structure of cytochrome c oxidase from Rhodobacter sphaeroides (EQ(I-286) mutant)) | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ... | Authors: | Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S. | Deposit date: | 2002-07-08 | Release date: | 2002-08-28 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides. J.Mol.Biol., 321, 2002
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5TNC
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3J2T
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![BU of 3j2t by Molmil](/molmil-images/mine/3j2t) | An improved model of the human apoptosome | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Cytochrome c, ... | Authors: | Yuan, S, Topf, M, Akey, C.W. | Deposit date: | 2012-12-23 | Release date: | 2013-04-10 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Changes in apaf-1 conformation that drive apoptosome assembly. Biochemistry, 52, 2013
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4ISH
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![BU of 4ish by Molmil](/molmil-images/mine/4ish) | Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID | Descriptor: | 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Wei, A. | Deposit date: | 2013-01-16 | Release date: | 2013-03-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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6BKZ
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![BU of 6bkz by Molmil](/molmil-images/mine/6bkz) | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2017-11-09 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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2A4Q
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![BU of 2a4q by Molmil](/molmil-images/mine/2a4q) | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | Deposit date: | 2005-06-29 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease Bioorg.Med.Chem.Lett., 15, 2005
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3NMU
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![BU of 3nmu by Molmil](/molmil-images/mine/3nmu) | Crystal Structure of substrate-bound halfmer box C/D RNP | Descriptor: | 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ... | Authors: | Li, H, Xue, S, Wang, R. | Deposit date: | 2010-06-22 | Release date: | 2011-05-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.729 Å) | Cite: | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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3NO0
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3NVK
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![BU of 3nvk by Molmil](/molmil-images/mine/3nvk) | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle | Descriptor: | 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ... | Authors: | Xue, S, Wang, R, Li, H. | Deposit date: | 2010-07-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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2ANA
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2B52
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![BU of 2b52 by Molmil](/molmil-images/mine/2b52) | Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562 | Descriptor: | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA, Cell division protein kinase 2 | Authors: | Muckelbauer, J. | Deposit date: | 2005-09-27 | Release date: | 2005-10-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. Part 4: Heterocycles at C3 Bioorg.Med.Chem.Lett., 14, 2004
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