6C8Y
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![BU of 6c8y by Molmil](/molmil-images/mine/6c8y) | D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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2V96
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![BU of 2v96 by Molmil](/molmil-images/mine/2v96) | Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K | Descriptor: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | Deposit date: | 2007-08-22 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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4DP5
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![BU of 4dp5 by Molmil](/molmil-images/mine/4dp5) | The 1.88 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin B at pH 8.0 | Descriptor: | COPPER (II) ION, GLYCEROL, Plastocyanin B, ... | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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1ICJ
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![BU of 1icj by Molmil](/molmil-images/mine/1icj) | PDF PROTEIN IS CRYSTALLIZED AS NI2+ CONTAINING FORM, COCRYSTALLIZED WITH INHIBITOR POLYETHYLENE GLYCOL (PEG) | Descriptor: | NICKEL (II) ION, NONAETHYLENE GLYCOL, PEPTIDE DEFORMYLASE, ... | Authors: | Becker, A, Schlichting, I, Kabsch, W, Schultz, S, Wagner, A.F.V. | Deposit date: | 1998-03-12 | Release date: | 1999-03-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of peptide deformylase and identification of the substrate binding site. J.Biol.Chem., 273, 1998
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1OTF
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![BU of 1otf by Molmil](/molmil-images/mine/1otf) | 4-OXALOCROTONATE TAUTOMERASE-TRICLINIC CRYSTAL FORM | Descriptor: | 4-OXALOCROTONATE TAUTOMERASE | Authors: | Subramanya, H.S, Roper, D.I, Dauter, Z, Dodson, E.J, Davies, G.J, Wilson, K.S, Wigley, D.B. | Deposit date: | 1995-11-09 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases. Biochemistry, 35, 1996
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8G45
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![BU of 8g45 by Molmil](/molmil-images/mine/8g45) | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe | Descriptor: | 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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6CHK
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![BU of 6chk by Molmil](/molmil-images/mine/6chk) | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I. | Deposit date: | 2018-02-22 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Automatic recognition of ligands in electron density by machine learning. Bioinformatics, 35, 2019
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6CJK
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![BU of 6cjk by Molmil](/molmil-images/mine/6cjk) | Anti HIV Fab 10A | Descriptor: | ACETATE ION, GLYCEROL, Immunoglobulin Fab heavy chain, ... | Authors: | Hangartner, L, Ward, A.B, Wilson, I.A, Oyen, D. | Deposit date: | 2018-02-26 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization. Immunity, 49, 2018
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8G43
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![BU of 8g43 by Molmil](/molmil-images/mine/8g43) | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | Descriptor: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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1MU2
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![BU of 1mu2 by Molmil](/molmil-images/mine/1mu2) | CRYSTAL STRUCTURE OF HIV-2 REVERSE TRANSCRIPTASE | Descriptor: | GLYCEROL, HIV-2 RT, SULFATE ION | Authors: | Ren, J, Bird, L.E, Chamberlain, P.P, Stewart-Jones, G.B, Stuart, D.I, Stammers, D.K. | Deposit date: | 2002-09-23 | Release date: | 2002-10-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of HIV-2 reverse transcriptase at 2.35-A resolution and the mechanism of resistance to non-nucleoside inhibitors Proc.Natl.Acad.Sci.USA, 99, 2002
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3SKQ
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![BU of 3skq by Molmil](/molmil-images/mine/3skq) | |
8G44
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![BU of 8g44 by Molmil](/molmil-images/mine/8g44) | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | Descriptor: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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1ICV
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![BU of 1icv by Molmil](/molmil-images/mine/1icv) | THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A. | Deposit date: | 2001-04-02 | Release date: | 2001-04-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution. J.Mol.Biol., 309, 2001
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3MA2
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![BU of 3ma2 by Molmil](/molmil-images/mine/3ma2) | Complex membrane type-1 matrix metalloproteinase (MT1-MMP) with tissue inhibitor of metalloproteinase-1 (TIMP-1) | Descriptor: | CALCIUM ION, Matrix metalloproteinase-14, Metalloproteinase inhibitor 1, ... | Authors: | Grossman, M, Tworowski, D, Dym, O, Lee, M.-H, Levy, Y, Sagi, I. | Deposit date: | 2010-03-23 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Intrinsic Protein Flexibility of Endogenous Protease Inhibitor TIMP-1 Controls Its Binding Interface and Affects Its Function. Biochemistry, 49, 2010
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2V3D
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![BU of 2v3d by Molmil](/molmil-images/mine/2v3d) | acid-beta-glucosidase with N-butyl-deoxynojirimycin | Descriptor: | (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ... | Authors: | Brumshtein, B, Greenblatt, H.M, Butters, T.D, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | Deposit date: | 2007-06-17 | Release date: | 2007-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease. J.Biol.Chem., 282, 2007
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4E2Q
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![BU of 4e2q by Molmil](/molmil-images/mine/4e2q) | |
8GB7
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![BU of 8gb7 by Molmil](/molmil-images/mine/8gb7) | |
4KHP
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![BU of 4khp by Molmil](/molmil-images/mine/4khp) | Structure of the Thermus thermophilus 30S ribosomal subunit in complex with de-6-MSA-pactamycin | Descriptor: | 16S Ribosomal RNA, 30S Ribosomal protein S10, 30S Ribosomal protein S11, ... | Authors: | Tourigny, D.S, Fernandez, I.S, Kelley, A.C, Ramakrishnan, V. | Deposit date: | 2013-05-01 | Release date: | 2013-06-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit. J.Mol.Biol., 425, 2013
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6CEC
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![BU of 6cec by Molmil](/molmil-images/mine/6cec) | Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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2VCX
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![BU of 2vcx by Molmil](/molmil-images/mine/2vcx) | Complex structure of prostaglandin D2 synthase at 2.1A. | Descriptor: | GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION, ... | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | Deposit date: | 2007-09-27 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
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3ZHO
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![BU of 3zho by Molmil](/molmil-images/mine/3zho) | X-ray structure of E.coli Wrba in complex with FMN at 1.2 A resolution | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVOPROTEIN WRBA | Authors: | Kishko, I, Lapkouski, M, Brynda, J, Kuty, M, Carey, J, Smatanova, I.K, Ettrich, R. | Deposit date: | 2012-12-23 | Release date: | 2013-08-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 1.2 A Resolution Crystal Structure of Escherichia Coli Wrba Holoprotein Acta Crystallogr.,Sect.D, 69, 2013
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4ZQB
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![BU of 4zqb by Molmil](/molmil-images/mine/4zqb) | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-05-08 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate to be published
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5WAB
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![BU of 5wab by Molmil](/molmil-images/mine/5wab) | |
2VJC
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![BU of 2vjc by Molmil](/molmil-images/mine/2vjc) | Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 150K | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2007-12-09 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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2VDH
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![BU of 2vdh by Molmil](/molmil-images/mine/2vdh) | Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit C172S mutation | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Garcia-Murria, M.-J, Karkehabadi, S, Marin-Navarro, J, Satagopan, S, Andersson, I, Spreitzer, R.J, Moreno, J. | Deposit date: | 2007-10-09 | Release date: | 2008-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Consequences of the Replacement of Proximal Residues Cys-172 and Cys-192 in the Large Subunit of Ribulose 1,5-Bisphosphate Carboxylase/Oxygenase from Chlamydomonas Reinhardtii Biochem.J., 411, 2008
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