1UAP
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![BU of 1uap by Molmil](/molmil-images/mine/1uap) | NMR structure of the NTR domain from human PCOLCE1 | Descriptor: | Procollagen C-proteinase enhancer protein | Authors: | Liepinsh, E, Banyai, L, Pintacuda, G, Trexler, M, Patthy, L, Otting, G. | Deposit date: | 2003-03-14 | Release date: | 2003-07-15 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR Structure of the Netrin-like Domain (NTR) of Human Type I Procollagen C-Proteinase Enhancer Defines Structural Consensus of NTR Domains and Assesses Potential Proteinase Inhibitory Activity and Ligand Binding. J.Biol.Chem., 278, 2003
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3FEL
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3FKN
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![BU of 3fkn by Molmil](/molmil-images/mine/3fkn) | P38 kinase crystal structure in complex with RO7125 | Descriptor: | 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-17 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
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1WUO
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![BU of 1wuo by Molmil](/molmil-images/mine/1wuo) | Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81A) | Descriptor: | ACETIC ACID, Beta-lactamase IMP-1, ZINC ION | Authors: | Yamaguchi, Y, Yamagata, Y, Goto, M. | Deposit date: | 2004-12-08 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Probing the role of Asp-120(81) of metallo-beta-lactamase (IMP-1) by site-directed mutagenesis, kinetic studies, and X-ray crystallography. J.Biol.Chem., 280, 2005
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5SWA
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5TFC
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![BU of 5tfc by Molmil](/molmil-images/mine/5tfc) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP | Descriptor: | Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-24 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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1GAQ
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![BU of 1gaq by Molmil](/molmil-images/mine/1gaq) | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN FERREDOXIN AND FERREDOXIN-NADP+ REDUCTASE | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I, FERREDOXIN-NADP+ REDUCTASE, ... | Authors: | Kurisu, G, Kusunoki, M, Hase, T. | Deposit date: | 2000-05-08 | Release date: | 2001-02-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of the electron transfer complex between ferredoxin and ferredoxin-NADP(+) reductase. Nat.Struct.Biol., 8, 2001
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5TFD
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![BU of 5tfd by Molmil](/molmil-images/mine/5tfd) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-24 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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3CWB
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![BU of 3cwb by Molmil](/molmil-images/mine/3cwb) | Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | Authors: | Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A. | Deposit date: | 2008-04-21 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D. Bioorg.Med.Chem., 16, 2008
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2BF7
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![BU of 2bf7 by Molmil](/molmil-images/mine/2bf7) | Leishmania major pteridine reductase 1 in complex with NADP and biopterin | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schuettelkopf, A.W, Hunter, W.N. | Deposit date: | 2004-12-06 | Release date: | 2005-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design J.Mol.Biol., 352, 2005
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3D2O
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![BU of 3d2o by Molmil](/molmil-images/mine/3d2o) | Crystal Structure of Manganese-metallated GTP Cyclohydrolase Type IB | Descriptor: | AZIDE ION, CHLORIDE ION, LITHIUM ION, ... | Authors: | Swairjo, M.A. | Deposit date: | 2008-05-08 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Zinc-independent folate biosynthesis: genetic, biochemical, and structural investigations reveal new metal dependence for GTP cyclohydrolase IB J.Bacteriol., 191, 2009
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5TWN
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![BU of 5twn by Molmil](/molmil-images/mine/5twn) | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-11-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. Medchemcomm, 8, 2017
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2BFM
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5U39
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![BU of 5u39 by Molmil](/molmil-images/mine/5u39) | Pseudomonas aeruginosa LpxC in complex with CHIR-090 | Descriptor: | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Sprague, E.R. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J. Med. Chem., 60, 2017
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1FLP
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![BU of 1flp by Molmil](/molmil-images/mine/1flp) | STRUCTURE OF THE SULFIDE-REACTIVE HEMOGLOBIN FROM THE CLAM LUCINA PECTINATA: CRYSTALLOGRAPHIC ANALYSIS AT 1.5 ANGSTROMS RESOLUTION | Descriptor: | HEMOGLOBIN I (AQUO MET), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Rizzi, M, Wittenberg, J.B, Ascenzi, P, Fasano, M, Coda, A, Bolognesi, M. | Deposit date: | 1994-05-16 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the sulfide-reactive hemoglobin from the clam Lucina pectinata. Crystallographic analysis at 1.5 A resolution. J.Mol.Biol., 244, 1994
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2BZ7
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2C8N
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![BU of 2c8n by Molmil](/molmil-images/mine/2c8n) | The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum in complex with 1,3-linked arabinoside of xylobiose. | Descriptor: | 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, alpha-L-arabinofuranose-(1-3)-alpha-D-xylopyranose | Authors: | Taylor, E.J, Smith, N.L, Turkenburg, J.P, D'Souza, S, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-12-06 | Release date: | 2005-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum. Biochem.J., 395, 2006
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1DXC
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![BU of 1dxc by Molmil](/molmil-images/mine/1dxc) | CO complex of Myoglobin Mb-YQR at 100K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | Deposit date: | 2000-01-03 | Release date: | 2000-04-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Novel Photolytic Intermediate of Myoglobin Proc.Natl.Acad.Sci.USA, 97, 2000
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2C7F
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![BU of 2c7f by Molmil](/molmil-images/mine/2c7f) | The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum in complex with 1,5-alpha-L-Arabinotriose. | Descriptor: | 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, ... | Authors: | Taylor, E.J, Smith, N.L, Turkenburg, J.P, D'Souza, S, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-11-23 | Release date: | 2005-12-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum. Biochem.J., 395, 2006
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1Q3Y
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![BU of 1q3y by Molmil](/molmil-images/mine/1q3y) | NMR structure of the Cys28His mutant (D form) of the nucleocapsid protein NCp7 of HIV-1. | Descriptor: | GAG protein, ZINC ION | Authors: | Ramboarina, S, Druillennec, S, Morellet, N, Bouaziz, S, Roques, B.P. | Deposit date: | 2003-08-01 | Release date: | 2004-09-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Target specificity of human immunodeficiency virus type 1 NCp7 requires an intact conformation of its CCHC N-terminal zinc finger. J.Virol., 78, 2004
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1Q3Z
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![BU of 1q3z by Molmil](/molmil-images/mine/1q3z) | NMR structure of the Cys28His mutant (E form) of the nucleocapsid protein NCp7 of HIV-1. | Descriptor: | GAG protein, ZINC ION | Authors: | Ramboarina, S, Druillennec, S, Morellet, N, Bouaziz, S, Roques, B.P. | Deposit date: | 2003-08-01 | Release date: | 2004-09-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Target specificity of human immunodeficiency virus type 1 NCp7 requires an intact conformation of its CCHC N-terminal zinc finger. J.Virol., 78, 2004
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2C9E
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![BU of 2c9e by Molmil](/molmil-images/mine/2c9e) | Peridinin-chlorophyll a protein, high-salt form | Descriptor: | CHLOROPHYLL A, DIGALACTOSYL DIACYL GLYCEROL (DGDG), MAGNESIUM ION, ... | Authors: | Schulte, T, Sharples, F.P, Hiller, R.G, Hofmann, E. | Deposit date: | 2005-12-09 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray Structure of the High-Salt Form of the Peridinin-Chlorophyll A-Protein from the Dinoflagellate Amphidinium Carterae: Modulation of the Spectral Properties of Pigments by the Protein Environment. Biochemistry, 48, 2009
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1TVF
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![BU of 1tvf by Molmil](/molmil-images/mine/1tvf) | Crystal Structure of penicillin-binding protein 4 (PBP4) from Staphylococcus aureus | Descriptor: | SULFATE ION, UNKNOWN LIGAND, penicillin binding protein 4 | Authors: | Rajashankar, K.R, Ray, S.S, Bonanno, J.B, Pinho, M, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-06-29 | Release date: | 2004-07-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of penicillin-binding protein 4 (PBP4) from Staphylococcus aureus To be Published
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3FFV
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![BU of 3ffv by Molmil](/molmil-images/mine/3ffv) | Crystal Structure Analysis of Syd | Descriptor: | Protein syd | Authors: | Maurus, R, Brayer, G.D. | Deposit date: | 2008-12-04 | Release date: | 2009-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, Binding, and Activity of Syd, a SecY-interacting Protein J.Biol.Chem., 284, 2009
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2BFO
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![BU of 2bfo by Molmil](/molmil-images/mine/2bfo) | Leishmania major pteridine reductase 1 in complex with NADPH | Descriptor: | 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | Authors: | Schuettelkopf, A.W, Hunter, W.N. | Deposit date: | 2004-12-10 | Release date: | 2005-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design J.Mol.Biol., 352, 2005
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