4ZAE
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![BU of 4zae by Molmil](/molmil-images/mine/4zae) | Development of a novel class of potent and selective FIXa inhibitors | Descriptor: | 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ... | Authors: | Hruza, A, Reichert, P. | Deposit date: | 2015-04-13 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of a novel class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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6E04
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![BU of 6e04 by Molmil](/molmil-images/mine/6e04) | sperm whale myoglobin 1-nitrosopropane | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-06 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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6I5M
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![BU of 6i5m by Molmil](/molmil-images/mine/6i5m) | Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDP and formate ion | Descriptor: | FORMIC ACID, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kravchenko, O, Nikonov, O, Gabdulkhakov, A, Stolboushkina, E, Arkhipova, V, Garber, M, Nikonov, S. | Deposit date: | 2018-11-13 | Release date: | 2019-01-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome. Acta Crystallogr D Struct Biol, 75, 2019
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6IC1
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![BU of 6ic1 by Molmil](/molmil-images/mine/6ic1) | urate oxidase under 90 bar of krypton | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ACETATE ION, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2018-12-01 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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4ZKY
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![BU of 4zky by Molmil](/molmil-images/mine/4zky) | Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis | Descriptor: | CHLORIDE ION, IODIDE ION, Pyridoxamine 5-phosphate oxidase, ... | Authors: | Lee, B.M, Carr, P.D, Ahmed, F.H, Jackson, C.J. | Deposit date: | 2015-05-01 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria. J.Mol.Biol., 427, 2015
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6I8Y
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![BU of 6i8y by Molmil](/molmil-images/mine/6i8y) | Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-21 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6I9X
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![BU of 6i9x by Molmil](/molmil-images/mine/6i9x) | urate oxidase under 35 bar of argon | Descriptor: | 8-AZAXANTHINE, ARGON, SODIUM ION, ... | Authors: | Prange, T, Colloc'h, N. | Deposit date: | 2018-11-26 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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4ZI8
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![BU of 4zi8 by Molmil](/molmil-images/mine/4zi8) | Structure of mouse clustered PcdhgC3 EC1-3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Nicoludis, J.M, Lau, S.-Y, Scharfe, C.P.I, Marks, D.S, Weihofen, W.A, Gaudet, R. | Deposit date: | 2015-04-27 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Structure and Sequence Analyses of Clustered Protocadherins Reveal Antiparallel Interactions that Mediate Homophilic Specificity. Structure, 23, 2015
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3QFD
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6E8T
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6EFC
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![BU of 6efc by Molmil](/molmil-images/mine/6efc) | Hsa Siglec + Unique domains (unliganded) | Descriptor: | CALCIUM ION, SODIUM ION, Streptococcal hemagglutinin | Authors: | Iverson, T.M. | Deposit date: | 2018-08-16 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation. Nat Commun, 13, 2022
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3HVI
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![BU of 3hvi by Molmil](/molmil-images/mine/3hvi) | Rat catechol O-methyltransferase in complex with a catechol-type, N6-ethyladenine-containing bisubstrate inhibitor | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ... | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2009-06-16 | Release date: | 2009-10-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor. Angew.Chem.Int.Ed.Engl., 48, 2009
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6EJC
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5A10
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![BU of 5a10 by Molmil](/molmil-images/mine/5a10) | The crystal structure of Ta-TFP, a thiocyanate-forming protein involved in glucosinolate breakdown (space group C2) | Descriptor: | ACETATE ION, SODIUM ION, THIOCYANATE FORMING PROTEIN | Authors: | Krausze, J, Gumz, F, Wittstock, U. | Deposit date: | 2015-04-27 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.423 Å) | Cite: | The Crystal Structure of the Thiocyanate-Forming Protein from Thlaspi Arvense, a Kelch Protein Involved in Glucosinolate Breakdown. Plant Mol.Biol., 89, 2015
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6I3Z
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![BU of 6i3z by Molmil](/molmil-images/mine/6i3z) | Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen | Descriptor: | Alpha-1-antitrypsin, Fab 2H2 heavy chain, Fab 2H2 light chain, ... | Authors: | Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Fra, A, Lomas, D.A, Irving, J.A. | Deposit date: | 2018-11-08 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin. JCI Insight, 5, 2020
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3RH6
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![BU of 3rh6 by Molmil](/molmil-images/mine/3rh6) | DNA Polymerase Beta Mutant (Y271) with a dideoxy-terminated primer with an incoming ribonucleotide (rCTP) | Descriptor: | (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DDG))-3'), (5'-D(P*GP*TP*CP*GP*G)-3'), 5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ... | Authors: | Cavanaugh, N.A, Beard, W.A, Batra, V.K, Perera, L, Pedersen, L.G, Wilson, S.H. | Deposit date: | 2011-04-11 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Molecular insights into DNA polymerase deterrents for ribonucleotide insertion. J.Biol.Chem., 286, 2011
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3I58
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1AVF
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![BU of 1avf by Molmil](/molmil-images/mine/1avf) | ACTIVATION INTERMEDIATE 2 OF HUMAN GASTRICSIN FROM HUMAN STOMACH | Descriptor: | GASTRICSIN, SODIUM ION | Authors: | Khan, A.R, Cherney, M.M, Tarasova, N.I, James, M.N.G. | Deposit date: | 1997-09-16 | Release date: | 1998-02-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural characterization of activation 'intermediate 2' on the pathway to human gastricsin. Nat.Struct.Biol., 4, 1997
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5A3W
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![BU of 5a3w by Molmil](/molmil-images/mine/5a3w) | Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-03 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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6EOM
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![BU of 6eom by Molmil](/molmil-images/mine/6eom) | Structure of DPP III from Caldithrix abyssi | Descriptor: | 1,2-ETHANEDIOL, ALANINE, CHLORIDE ION, ... | Authors: | Sabljic, I. | Deposit date: | 2017-10-10 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | The first dipeptidyl peptidase III from a thermophile: Structural basis for thermal stability and reduced activity. PLoS ONE, 13, 2018
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3HUP
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![BU of 3hup by Molmil](/molmil-images/mine/3hup) | High-resolution structure of the extracellular domain of human CD69 | Descriptor: | CHLORIDE ION, Early activation antigen CD69, SODIUM ION | Authors: | Kolenko, P, Dohnalek, J, Skalova, T, Hasek, J, Duskova, J, Vanek, O, Bezouska, K. | Deposit date: | 2009-06-15 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | The high-resolution structure of the extracellular domain of human CD69 using a novel polymer Acta Crystallogr.,Sect.F, 65, 2009
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6I9Z
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![BU of 6i9z by Molmil](/molmil-images/mine/6i9z) | urate oxidase under 65 bar of argon | Descriptor: | 8-AZAXANTHINE, ARGON, SODIUM ION, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2018-11-26 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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3I44
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6ELE
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![BU of 6ele by Molmil](/molmil-images/mine/6ele) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, fAB heavy chain, ... | Authors: | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | Deposit date: | 2017-09-28 | Release date: | 2017-11-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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6EJE
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