4AR3
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![BU of 4ar3 by Molmil](/molmil-images/mine/4ar3) | Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin. | Descriptor: | FE (III) ION, Rubredoxin, deuterium(1+), ... | Authors: | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | Deposit date: | 2012-04-20 | Release date: | 2013-01-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (1.05 Å) | Cite: | Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes. Angew.Chem.Int.Ed.Engl., 52, 2013
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2QG5
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![BU of 2qg5 by Molmil](/molmil-images/mine/2qg5) | Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 | Descriptor: | Calcium/calmodulin-dependent protein kinase | Authors: | Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Artz, J, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-28 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 To be Published
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4AFK
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![BU of 4afk by Molmil](/molmil-images/mine/4afk) | In meso structure of alginate transporter, AlgE, from Pseudomonas aeruginosa, PAO1 | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Tan, J, Pye, V.E, Aragao, D, Caffrey, M. | Deposit date: | 2012-01-19 | Release date: | 2013-02-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa. Acta Crystallogr.,Sect.D, 70, 2014
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4AOG
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![BU of 4aog by Molmil](/molmil-images/mine/4aog) | |
4APD
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![BU of 4apd by Molmil](/molmil-images/mine/4apd) | Liraglutide | Descriptor: | LIRAGLUTIDE, N-hexadecanoyl-L-glutamic acid | Authors: | Ludvigsen, S, Steensgaard, D.B, Thomsen, J.K, Strauss, H, Normann, M. | Deposit date: | 2012-04-02 | Release date: | 2013-07-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Liraglutide To be Published
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4APB
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![BU of 4apb by Molmil](/molmil-images/mine/4apb) | Crystal structure of Mycobacterium tuberculosis fumarase (Rv1098c) S318C in complex with fumarate | Descriptor: | CALCIUM ION, FUMARATE HYDRATASE CLASS II, FUMARIC ACID | Authors: | Bellinzoni, M, Haouz, A, Mechaly, A.E, Alzari, P.M. | Deposit date: | 2012-03-31 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis. FEBS Lett., 586, 2012
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2JMG
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![BU of 2jmg by Molmil](/molmil-images/mine/2jmg) | Solution structure of V7R mutant of HIV-1 myristoylated matrix protein | Descriptor: | Gag polyprotein, MYRISTIC ACID | Authors: | Saad, J.S, Loeliger, E, Luncsford, P, Liriano, M, Tai, J, Kim, A, Miller, J, Joshi, A, Freed, E.O, Summers, M.F. | Deposit date: | 2006-11-11 | Release date: | 2007-02-06 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Point mutations in the HIV-1 matrix protein turn off the myristyl switch. J.Mol.Biol., 366, 2007
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1OBH
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![BU of 1obh by Molmil](/molmil-images/mine/1obh) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A PRE-TRANSFER EDITING SUBSTRATE ANALOGUE IN BOTH SYNTHETIC ACTIVE SITE AND EDITING SITE | Descriptor: | LEUCYL-TRNA SYNTHETASE, MERCURY (II) ION, NORVALINE, ... | Authors: | Cusack, S, Yaremchuk, A, Tukalo, M. | Deposit date: | 2003-01-31 | Release date: | 2003-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase Mol.Cell, 11, 2003
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4A07
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![BU of 4a07 by Molmil](/molmil-images/mine/4a07) | Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the PIF-Pocket | Descriptor: | (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
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4A06
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![BU of 4a06 by Molmil](/molmil-images/mine/4a06) | Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the PIF-Pocket | Descriptor: | (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
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2JNJ
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![BU of 2jnj by Molmil](/molmil-images/mine/2jnj) | Solution structure of the p8 TFIIH subunit | Descriptor: | TFIIH basal transcription factor complex TTD-A subunit | Authors: | Vitorino, M, Atkinson, R.A, Moras, D, Poterszman, A, Kieffer, B, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2007-01-26 | Release date: | 2007-04-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution Structure and Self-association Properties of the p8 TFIIH Subunit Responsible for Trichothiodystrophy J.Mol.Biol., 368, 2007
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2JMW
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![BU of 2jmw by Molmil](/molmil-images/mine/2jmw) | Structure of DNA-Binding Domain of Arabidopsis GT-1 | Descriptor: | DNA binding protein GT-1 | Authors: | Nagata, T, Niyada, E, Noto, K, Ikeda, Y, Yamamoto, Y, Uesugi, S, Murata, J, Hiratsuka, K, Katahira, M. | Deposit date: | 2006-12-11 | Release date: | 2007-12-11 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution structures of the trihelix DNA-binding domains of the wild-type and a phosphomimetic mutant of Arabidopsis GT-1: mechanism for an increase in DNA-binding affinity through phosphorylation. Proteins, 78, 2010
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4A1J
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![BU of 4a1j by Molmil](/molmil-images/mine/4a1j) | Ykud L,D-transpeptidase from B.subtilis | Descriptor: | PUTATIVE L, D-TRANSPEPTIDASE YKUD, SULFATE ION | Authors: | Blaise, M, Fuglsang Midtgaard, S, Roi Midtgaard, S, Boesen, T, Thirup, S. | Deposit date: | 2011-09-15 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Ykud To be Published
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2JMR
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![BU of 2jmr by Molmil](/molmil-images/mine/2jmr) | NMR structure of the E. coli type 1 pilus subunit FimF | Descriptor: | fimF | Authors: | Gossert, A.D, Bettendorff, P, Puorger, C, Vetsch, M, Herrmann, T, Fiorito, F, Hiller, S, Glockshuber, R, Wuthrich, K. | Deposit date: | 2006-11-29 | Release date: | 2007-10-30 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR structure of the Escherichia coli type 1 pilus subunit FimF and its interactions with other pilus subunits. J.Mol.Biol., 375, 2008
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1UMA
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![BU of 1uma by Molmil](/molmil-images/mine/1uma) | ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ... | Authors: | Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M. | Deposit date: | 1996-03-26 | Release date: | 1996-11-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study. J.Mol.Biol., 258, 1996
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4FB8
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![BU of 4fb8 by Molmil](/molmil-images/mine/4fb8) | Crystal Structure of apo Acyl-CoA Carboxylase | Descriptor: | Probable propionyl-CoA carboxylase beta chain 6 | Authors: | Reddy, M.C.M, Bruning, J.B, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-05-22 | Release date: | 2014-02-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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4A6X
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![BU of 4a6x by Molmil](/molmil-images/mine/4a6x) | RadA C-terminal ATPase domain from Pyrococcus furiosus bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2011-11-10 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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3ZZT
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![BU of 3zzt by Molmil](/molmil-images/mine/3zzt) | |
4A02
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![BU of 4a02 by Molmil](/molmil-images/mine/4a02) | X-ray crystallographic structure of EfCBM33A | Descriptor: | CHITIN BINDING PROTEIN | Authors: | Vaaje-Kolstad, G, Bohle, L.A, Gaseidnes, S, Dalhus, B, Bjoras, M, Mathiesen, G, Eijsink, V.G.H. | Deposit date: | 2011-09-07 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Characterization of the Chitinolytic Machinery of Enterococcus Faecalis V583 and High Resolution Structure of its Oxidative Cbm33 Enzyme J.Mol.Biol., 416, 2012
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2JOB
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![BU of 2job by Molmil](/molmil-images/mine/2job) | Solution structure of an antilipopolysaccharide factor from shrimp and its possible Lipid A binding site | Descriptor: | antilipopolysaccharide factor | Authors: | Yang, Y, Boze, H, Chemardin, P, Padilla, A, Moulin, G, Tassanakajon, A, Pugniere, M, Roquet, F, Gueguen, Y, Bachere, E, Aumelas, A. | Deposit date: | 2007-03-02 | Release date: | 2008-03-11 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR structure of rALF-Pm3, an anti-lipopolysaccharide factor from shrimp: Model of the possible lipid A-binding site Biopolymers, 91, 2009
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4B86
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![BU of 4b86 by Molmil](/molmil-images/mine/4b86) | Crystal structure of the MSL1-MSL2 complex (3.5A) | Descriptor: | MALE-SPECIFIC LETHAL 1 HOMOLOG, MALE-SPECIFIC LETHAL 2 HOMOLOG, ZINC ION | Authors: | Hallacli, E, Lipp, M, Georgiev, P, Spielman, C, Cusack, S, Akhtar, A, Kadlec, J. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Msl1-Mediated Dimerization of the Dosage Compensation Complex is Essential for Male X-Chromosome Regulation in Drosophila. Mol.Cell, 48, 2012
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4B22
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![BU of 4b22 by Molmil](/molmil-images/mine/4b22) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | Descriptor: | 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*CP*AP*TP*CP*GP)-3', MAG2, ... | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | Deposit date: | 2012-07-12 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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4ZGR
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![BU of 4zgr by Molmil](/molmil-images/mine/4zgr) | Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with T-Antigen. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Chandran, T, Sharma, A, Vijayan, M. | Deposit date: | 2015-04-23 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure. J.Biosci., 40, 2015
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4BJ9
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![BU of 4bj9 by Molmil](/molmil-images/mine/4bj9) | Crystal structure of human tankyrase 2 in complex with EB-47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-04-17 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors Acs Med.Chem.Lett., 5, 2014
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8BO4
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![BU of 8bo4 by Molmil](/molmil-images/mine/8bo4) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | Descriptor: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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