3GEN
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![BU of 3gen by Molmil](/molmil-images/mine/3gen) | The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a pyrrolopyrimidine-containing compound | Descriptor: | 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Tyrosine-protein kinase BTK | Authors: | Marcotte, D.J, Liu, Y.T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F. | Deposit date: | 2009-02-25 | Release date: | 2010-01-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases. Protein Sci., 19, 2010
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1MYN
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![BU of 1myn by Molmil](/molmil-images/mine/1myn) | SOLUTION STRUCTURE OF DROSOMYCIN, THE FIRST INDUCIBLE ANTIFUNGAL PROTEIN FROM INSECTS, NMR, 15 STRUCTURES | Descriptor: | DROSOMYCIN | Authors: | Landon, C, Sodano, P, Hetru, C, Hoffmann, J.A, Ptak, M. | Deposit date: | 1996-12-26 | Release date: | 1997-12-31 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of drosomycin, the first inducible antifungal protein from insects. Protein Sci., 6, 1997
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6FN1
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![BU of 6fn1 by Molmil](/molmil-images/mine/6fn1) | Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Human-mouse chimeric ABCB1 (ABCBHM), UIC2 Antigen Binding Fragment Heavy Chain, ... | Authors: | Alam, A, Locher, K.P. | Deposit date: | 2018-02-02 | Release date: | 2018-02-21 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structure of a zosuquidar and UIC2-bound human-mouse chimeric ABCB1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5AG5
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![BU of 5ag5 by Molmil](/molmil-images/mine/5ag5) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | Descriptor: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2015-01-29 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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3ER8
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![BU of 3er8 by Molmil](/molmil-images/mine/3er8) | Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase complex with two fragments of RNA | Descriptor: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, Poly(A) polymerase catalytic subunit, RNA/DNA chimera 5'-D(CP*CP*)R(UP*UP*)D(C)-3', ... | Authors: | Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D. | Deposit date: | 2008-10-01 | Release date: | 2009-06-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase Structure, 17, 2009
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4N25
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![BU of 4n25 by Molmil](/molmil-images/mine/4n25) | Crystal structure of Protein Arginine Deiminase 2 (250 uM Ca2+) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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5AG6
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![BU of 5ag6 by Molmil](/molmil-images/mine/5ag6) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | Descriptor: | (2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2015-01-29 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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4N2N
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![BU of 4n2n by Molmil](/molmil-images/mine/4n2n) | Crystal structure of Protein Arginine Deiminase 2 (E354A, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-05 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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411D
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![BU of 411d by Molmil](/molmil-images/mine/411d) | DUPLEX [5'-D(GCGTA+TACGC)]2 WITH INCORPORATED 2'-O-METHOXYETHYL RIBONUCLEOSIDE | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(T39)P*AP*CP*GP*C)-3') | Authors: | Tereshko, V, Portmann, S, Tay, E.C, Martin, P, Natt, F, Altmann, K.H, Egli, M. | Deposit date: | 1998-06-30 | Release date: | 1998-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Correlating structure and stability of DNA duplexes with incorporated 2'-O-modified RNA analogues. Biochemistry, 37, 1998
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1N3C
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![BU of 1n3c by Molmil](/molmil-images/mine/1n3c) | Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase | Descriptor: | 8-oxoG-containing DNA, CALCIUM ION, DNA complement strand, ... | Authors: | Norman, D.P, Chung, S.J, Verdine, G.L. | Deposit date: | 2002-10-25 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase Biochemistry, 42, 2003
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1JZW
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![BU of 1jzw by Molmil](/molmil-images/mine/1jzw) | Arsenate Reductase + Sodium Arsenate From E. coli | Descriptor: | ARSENATE REDUCTASE, CESIUM ION, SULFATE ION, ... | Authors: | Martin, P, DeMel, S, Shi, J, Gladysheva, T, Gatti, D.L, Rosen, B.P, Edwards, B.F. | Deposit date: | 2001-09-17 | Release date: | 2001-11-28 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme. Structure, 9, 2001
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3IRN
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![BU of 3irn by Molmil](/molmil-images/mine/3irn) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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1D40
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![BU of 1d40 by Molmil](/molmil-images/mine/1d40) | BASE SPECIFIC BINDING OF COPPER(II) TO Z-DNA: THE 1.3-ANGSTROMS SINGLE CRYSTAL STRUCTURE OF D(M5CGUAM5CG) IN THE PRESENCE OF CUCL2 | Descriptor: | COPPER (II) CHLORIDE, COPPER (II) ION, DNA (5'-D(*(5CM)P*(CU)GP*UP*AP*(5CM)P*(CU)G)-3') | Authors: | Geierstanger, B.H, Kagawa, T.F, Chen, S.-L, Quigley, G.J, Ho, P.S. | Deposit date: | 1991-05-07 | Release date: | 1992-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Base-specific binding of copper(II) to Z-DNA. The 1.3-A single crystal structure of d(m5CGUAm5CG) in the presence of CuCl2. J.Biol.Chem., 266, 1991
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3J07
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![BU of 3j07 by Molmil](/molmil-images/mine/3j07) | Model of a 24mer alphaB-crystallin multimer | Descriptor: | Alpha-crystallin B chain | Authors: | Jehle, S, Vollmar, B, Bardiaux, B, Dove, K.K, Rajagopal, P, Gonen, T, Oschkinat, H, Klevit, R.E. | Deposit date: | 2011-04-27 | Release date: | 2016-01-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (20 Å), SOLID-STATE NMR, SOLUTION SCATTERING | Cite: | N-terminal domain of {alpha}B-crystallin provides a conformational switch for multimerization and structural heterogeneity. Proc.Natl.Acad.Sci.USA, 108, 2011
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2WYX
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![BU of 2wyx by Molmil](/molmil-images/mine/2wyx) | Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant | Descriptor: | BETA-LACTAMSE TOHO-1 | Authors: | Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L. | Deposit date: | 2009-11-20 | Release date: | 2010-01-12 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å) | Cite: | Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant J.Mol.Biol., 396, 2010
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8DOZ
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![BU of 8doz by Molmil](/molmil-images/mine/8doz) | |
3ITC
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![BU of 3itc by Molmil](/molmil-images/mine/3itc) | Crystal structure of Sco3058 with bound citrate and glycerol | Descriptor: | CITRIC ACID, GLYCEROL, ZINC ION, ... | Authors: | Nguyen, T.T, Cummings, J.A, Tsai, C.-L, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2009-08-28 | Release date: | 2010-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase Biochemistry, 49, 2010
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3QUL
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![BU of 3qul by Molmil](/molmil-images/mine/3qul) | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | Deposit date: | 2011-02-24 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Eur.J.Immunol., 42, 2012
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3V46
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![BU of 3v46 by Molmil](/molmil-images/mine/3v46) | Crystal Structure of Yeast Cdc73 C-Terminal Domain | Descriptor: | Cell division control protein 73 | Authors: | Amrich, C.G, VanDemark, A.P. | Deposit date: | 2011-12-14 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | Cdc73 subunit of Paf1 complex contains C-terminal Ras-like domain that promotes association of Paf1 complex with chromatin. J.Biol.Chem., 287, 2012
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6FOK
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![BU of 6fok by Molmil](/molmil-images/mine/6fok) | Copper transporter OprC | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, COPPER (II) ION, Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2018-02-07 | Release date: | 2019-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
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1XUW
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![BU of 1xuw by Molmil](/molmil-images/mine/1xuw) | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogs | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(NMT)P*AP*CP*GP*C)-3') | Authors: | Pattanayek, R, Sethaphong, L, Pan, C, Prhavc, M, Prakash, T.P, Manoharan, M, Egli, M. | Deposit date: | 2004-10-26 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogues. J.Am.Chem.Soc., 126, 2004
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4NB2
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![BU of 4nb2 by Molmil](/molmil-images/mine/4nb2) | Crystal Structure of FosB from Staphylococcus aureus at 1.89 Angstrom Resolution - Apo structure | Descriptor: | Metallothiol transferase FosB, SULFATE ION | Authors: | Cook, P.D, Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Armstrong, R.N. | Deposit date: | 2013-10-22 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus. Biochemistry, 53, 2014
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1JNB
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![BU of 1jnb by Molmil](/molmil-images/mine/1jnb) | CONNECTOR PROTEIN FROM BACTERIOPHAGE PHI29 | Descriptor: | UPPER COLLAR PROTEIN | Authors: | Simpson, A.A, Leiman, P.G, Tao, Y, He, Y, Badasso, M.O, Jardine, P.J, Anderson, D.L, Rossmann, M.G. | Deposit date: | 2001-07-23 | Release date: | 2001-08-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure determination of the head-tail connector of bacteriophage phi29. Acta Crystallogr.,Sect.D, 57, 2001
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5B8D
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![BU of 5b8d by Molmil](/molmil-images/mine/5b8d) | Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | FORMIC ACID, Histone deacetylase 6, SODIUM ION, ... | Authors: | Harding, R.J, Tempel, W, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Ravichandran, M, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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3UNQ
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![BU of 3unq by Molmil](/molmil-images/mine/3unq) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-16 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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