7JQ3
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![BU of 7jq3 by Molmil](/molmil-images/mine/7jq3) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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2YLW
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![BU of 2ylw by Molmil](/molmil-images/mine/2ylw) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT IN COMPLEX WITH MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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5FSR
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![BU of 5fsr by Molmil](/molmil-images/mine/5fsr) | Crystal structure of penicillin binding protein 6B from Escherichia coli | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD | Authors: | Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W. | Deposit date: | 2016-01-07 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli Mbio, 7, 2016
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7JR3
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5FMV
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![BU of 5fmv by Molmil](/molmil-images/mine/5fmv) | Crystal structure of human CD45 extracellular region, domains d1-d4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-09 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5AEK
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![BU of 5aek by Molmil](/molmil-images/mine/5aek) | Crystal structure of the human SENP2 C548S in complex with the human SUMO1 K48M F66W | Descriptor: | SENTRIN-SPECIFIC PROTEASE 2, SMALL UBIQUITIN-RELATED MODIFIER 1 | Authors: | Gallego, P, Grana-Montes, R, Espargaro, A, Castillo, V, Torrent, J, Lange, R, Papaleo, E, Lindorff-Larsend, K, Ventura, S, Reverter, D. | Deposit date: | 2014-12-23 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Stepping Back and Forward on Sumo Folding Evolution To be Published
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2YO3
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![BU of 2yo3 by Molmil](/molmil-images/mine/2yo3) | |
2UVW
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![BU of 2uvw by Molmil](/molmil-images/mine/2uvw) | Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*A)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Irimia, A, Egli, M. | Deposit date: | 2007-03-14 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4. J.Biol.Chem., 282, 2007
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7JSE
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![BU of 7jse by Molmil](/molmil-images/mine/7jse) | Adeno-Associated Virus Origin Binding Domain in complex with ssDNA | Descriptor: | DNA (5'-D(*TP*TP*TP*T)-3'), Protein Rep68 | Authors: | Escalante, C.R. | Deposit date: | 2020-08-14 | Release date: | 2020-12-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states. Nucleic Acids Res., 48, 2020
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7QXR
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![BU of 7qxr by Molmil](/molmil-images/mine/7qxr) | Azacoelenterazine-bound Renilla-type luciferase (AncFT) | Descriptor: | 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT) | Authors: | Marek, M, Schenkmayerova, A, Janin, Y.L. | Deposit date: | 2022-01-27 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
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7QXQ
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![BU of 7qxq by Molmil](/molmil-images/mine/7qxq) | Coelenteramide-bound Renilla-type luciferase (AncFT) | Descriptor: | Fragment transplantation onto hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT), N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | Authors: | Marek, M, Schenkmayerova, A. | Deposit date: | 2022-01-27 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
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2BR2
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![BU of 2br2 by Molmil](/molmil-images/mine/2br2) | RNase PH core of the archaeal exosome | Descriptor: | CHLORIDE ION, EXOSOME COMPLEX EXONUCLEASE 1, EXOSOME COMPLEX EXONUCLEASE 2 | Authors: | lorentzen, E, Fribourg, S, Conti, E. | Deposit date: | 2005-04-30 | Release date: | 2005-06-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Archaeal Exosome Core is a Hexameric Ring Structure with Three Catalytic Subunits. Nat.Struct.Mol.Biol., 12, 2005
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5AFY
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![BU of 5afy by Molmil](/molmil-images/mine/5afy) | Thrombin in complex with 3-chloro-benzamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-BENZAMIDE, DIMETHYL SULFOXIDE, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-01-27 | Release date: | 2015-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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7QB2
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![BU of 7qb2 by Molmil](/molmil-images/mine/7qb2) | Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | Descriptor: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2021-11-18 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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2X4N
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![BU of 2x4n by Molmil](/molmil-images/mine/2x4n) | Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
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1PDI
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![BU of 1pdi by Molmil](/molmil-images/mine/1pdi) | Fitting of the C-terminal part of the short tail fibers into the cryo-EM reconstruction of T4 baseplate | Descriptor: | Short tail fiber protein | Authors: | Kostyuchenko, V.A, Leiman, P.G, Chipman, P.R, Kanamaru, S, van Raaij, M.J, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2003-05-19 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Three-dimensional structure of bacteriophage T4 baseplate Nat.Struct.Biol., 10, 2003
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2YQ8
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4N2S
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![BU of 4n2s by Molmil](/molmil-images/mine/4n2s) | Crystal Structure of THA8 in complex with Zm1a-6 RNA | Descriptor: | THA8 RNA binding protein, Zm1a-6 RNA | Authors: | Ke, J, Chen, R.Z, Ban, T, Zhou, X.E, Gu, X, Brunzelle, J.S, Zhu, J.K, Melcher, K, Xu, H.E. | Deposit date: | 2013-10-06 | Release date: | 2013-10-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for RNA recognition by a dimeric PPR-protein complex. Nat.Struct.Mol.Biol., 20, 2013
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4GF7
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![BU of 4gf7 by Molmil](/molmil-images/mine/4gf7) | Crystal structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO), unliganded form | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Sawa, Y, Yagi, T. | Deposit date: | 2012-08-03 | Release date: | 2013-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase To be Published
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8W7F
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![BU of 8w7f by Molmil](/molmil-images/mine/8w7f) | Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase bound with FAD and a sulfate ion | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yang, J, Chen, X, Jin, S, Ding, J. | Deposit date: | 2023-08-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria. J.Biol.Chem., 300, 2023
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2BOV
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![BU of 2bov by Molmil](/molmil-images/mine/2bov) | Molecular recognition of an ADP-ribosylating Clostridium botulinum C3 exoenzyme by RalA GTPase | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MONO-ADP-RIBOSYLTRANSFERASE C3, ... | Authors: | Holbourn, K.P, Sutton, J.M, Evans, H.R, Shone, C.C, Acharya, K.R. | Deposit date: | 2005-04-14 | Release date: | 2005-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Molecular Recognition of an Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme by Rala Gtpase Proc.Natl.Acad.Sci.USA, 102, 2005
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3DQN
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![BU of 3dqn by Molmil](/molmil-images/mine/3dqn) | |
5FQL
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![BU of 5fql by Molmil](/molmil-images/mine/5fql) | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | Deposit date: | 2015-12-11 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase. Nat Commun, 8, 2017
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2BXC
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![BU of 2bxc by Molmil](/molmil-images/mine/2bxc) | Human serum albumin complexed with phenylbutazone | Descriptor: | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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2YQ6
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![BU of 2yq6 by Molmil](/molmil-images/mine/2yq6) | Structure of Bcl-xL bound to BimSAHB | Descriptor: | BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL | Authors: | Smith, B.J, Czabotar, P.E. | Deposit date: | 2012-11-06 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity. Acs Chem.Biol., 8, 2013
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