1MRU
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![BU of 1mru by Molmil](/molmil-images/mine/1mru) | Intracellular Ser/Thr protein kinase domain of Mycobacterium tuberculosis PknB. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable serine/threonine-protein kinase pknB | Authors: | Young, T.A, Delagoutte, B, Endrizzi, J.A, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-09-18 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Mycobacterium tuberculosis PknB supports a universal activation mechanism for Ser/Thr protein kinases. Nat.Struct.Biol., 10, 2003
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1N3F
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![BU of 1n3f by Molmil](/molmil-images/mine/1n3f) | Crystal structure of I-CreI bound to a palindromic DNA sequence II (palindrome of right side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*GP*A)-3', 5'-D(P*GP*AP*CP*AP*GP*TP*TP*TP*CP*G-3'), CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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1N42
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![BU of 1n42 by Molmil](/molmil-images/mine/1n42) | Crystal Structure of Annexin V R149E Mutant | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interfacial basic cluster in annexin V couples phospholipid binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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1N3E
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![BU of 1n3e by Molmil](/molmil-images/mine/1n3e) | Crystal structure of I-CreI bound to a palindromic DNA sequence I (palindrome of left side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*C)-3', 5'-D(P*GP*AP*CP*GP*TP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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1MQZ
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![BU of 1mqz by Molmil](/molmil-images/mine/1mqz) | NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles | Descriptor: | LANTIBIOTIC MERSACIDIN | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | Deposit date: | 2002-09-17 | Release date: | 2003-03-11 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity J.Biol.Chem., 278, 2003
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1MQY
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![BU of 1mqy by Molmil](/molmil-images/mine/1mqy) | NMR solution structure of type-B lantibiotics mersacidin in DPC micelles | Descriptor: | LANTIBIOTIC MERSACIDIN | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | Deposit date: | 2002-09-17 | Release date: | 2003-03-11 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity J.Biol.Chem., 278, 2003
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1MU6
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![BU of 1mu6 by Molmil](/molmil-images/mine/1mu6) | Crystal Structure of Thrombin in Complex with L-378,622 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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1W6I
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![BU of 1w6i by Molmil](/molmil-images/mine/1w6i) | plasmepsin II-pepstatin A complex | Descriptor: | PEPSTATIN, PLASMEPSIN 2 PRECURSOR | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-18 | Release date: | 2006-07-05 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design To be Published
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1W7P
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![BU of 1w7p by Molmil](/molmil-images/mine/1w7p) | The crystal structure of endosomal complex ESCRT-II (VPS22/VPS25/VPS36) | Descriptor: | VPS22, YPL002C, VPS25, ... | Authors: | Teo, H, Perisic, O, Gonzalez, B, Williams, R.L. | Deposit date: | 2004-09-07 | Release date: | 2004-09-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Escrt-II, an Endosome-Associated Complex Required for Protein Sorting: Crystal Structure and Interactions with Escrt-III and Membranes Dev.Cell, 7, 2004
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1W4L
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![BU of 1w4l by Molmil](/molmil-images/mine/1w4l) | Complex of TcAChE with bis-acting galanthamine derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-07-25 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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6R9K
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![BU of 6r9k by Molmil](/molmil-images/mine/6r9k) | |
1W6H
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![BU of 1w6h by Molmil](/molmil-images/mine/1w6h) | Novel plasmepsin II-inhibitor complex | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-18 | Release date: | 2006-07-05 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design To be Published
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1W6R
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![BU of 1w6r by Molmil](/molmil-images/mine/1w6r) | Complex of TcAChE with galanthamine derivative | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-08-23 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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1W8S
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![BU of 1w8s by Molmil](/molmil-images/mine/1w8s) | The mechanism of the Schiff Base Forming Fructose-1,6-bisphosphate Aldolase: Structural analysis of reaction intermediates | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I | Authors: | Lorentzen, E, Hensel, R, Siebers, B, Pohl, E. | Deposit date: | 2004-09-27 | Release date: | 2005-03-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of the Schiff base forming fructose-1,6-bisphosphate aldolase: structural analysis of reaction intermediates. Biochemistry, 44, 2005
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1W5C
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![BU of 1w5c by Molmil](/molmil-images/mine/1w5c) | Photosystem II from Thermosynechococcus elongatus | Descriptor: | 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, BETA-CAROTENE, CHLOROPHYLL A, ... | Authors: | Biesiadka, J, Loll, B, Kern, J, Irrgang, K.-D, Saenger, W. | Deposit date: | 2004-08-06 | Release date: | 2004-12-21 | Last modified: | 2014-01-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of Cyanobacterial Photosystem II at 3.2 A Resolution: A Closer Look at the Mn- Cluster Phys.Chem.Chem.Phys., 6, 2004
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1W9R
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![BU of 1w9r by Molmil](/molmil-images/mine/1w9r) | Solution Structure of Choline Binding Protein A, Domain R2, the Major Adhesin of Streptococcus pneumoniae | Descriptor: | CHOLINE BINDING PROTEIN A | Authors: | Luo, R, Mann, B, Lewis, W.S, Rowe, A, Heath, R, Stewart, M.L, Hamburger, A.E, Bjorkman, P.J, Sivakolundu, S, Lacy, E.R, Tuomanen, E, Kriwacki, R.W. | Deposit date: | 2004-10-15 | Release date: | 2005-02-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Choline Binding Protein A, the Major Adhesin of Streptococcus Pneumoniae Embo J., 24, 2005
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1W19
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![BU of 1w19 by Molmil](/molmil-images/mine/1w19) | Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)propane 1-phosphate | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S,5S)-1,2-DITHIANE-4,5-DIOL, ... | Authors: | Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2004-06-03 | Release date: | 2005-03-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,) Biochemistry, 44, 2005
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1W1Y
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![BU of 1w1y by Molmil](/molmil-images/mine/1w1y) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Tyr-L-Pro) at 1.85 A resolution | Descriptor: | CHITINASE B, CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | Deposit date: | 2004-06-24 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1W08
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![BU of 1w08 by Molmil](/molmil-images/mine/1w08) | STRUCTURE OF T70N HUMAN LYSOZYME | Descriptor: | CHLORIDE ION, LYSOZYME | Authors: | Johnson, R, Christodoulou, J, Luisi, B, Dumoulin, M, Caddy, G, Alcocer, M, Murtagh, G, Archer, D.B, Dobson, C.M. | Deposit date: | 2004-06-02 | Release date: | 2004-06-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rationalising Lysozyme Amyloidosis: Insights from the Structure and Solution Dynamics of T70N Lysozyme. J.Mol.Biol., 352, 2005
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1W1T
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![BU of 1w1t by Molmil](/molmil-images/mine/1w1t) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(His-L-Pro) at 1.9 A resolution | Descriptor: | CHITINASE B, CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, van Aalten, D.M.F. | Deposit date: | 2004-06-24 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1W30
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![BU of 1w30 by Molmil](/molmil-images/mine/1w30) | PyrR of Mycobacterium Tuberculosis as a potential drug target | Descriptor: | PYRR BIFUNCTIONAL PROTEIN | Authors: | Kantardjieff, K.A, Vasquez, C, Castro, P, Warfel, N.N, Rho, B.-S, Lekin, T, Kim, C.-Y, Segelke, B.W, Terwilliger, T, Rupp, B, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-07-11 | Release date: | 2004-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Pyrr (Rv1379) from Mycobacterium Tuberculosis: A Persistence Gene and Protein Drug Target Acta Crystallogr.,Sect.D, 61, 2005
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1VZO
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![BU of 1vzo by Molmil](/molmil-images/mine/1vzo) | The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein | Descriptor: | BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION | Authors: | Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. | Deposit date: | 2004-05-21 | Release date: | 2004-06-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein Structure, 12, 2004
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1W1P
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![BU of 1w1p by Molmil](/molmil-images/mine/1w1p) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(Gly-L-Pro) at 2.1 A resolution | Descriptor: | CHITINASE B, CYCLO-(GLYCINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | Deposit date: | 2004-06-23 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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2G83
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![BU of 2g83 by Molmil](/molmil-images/mine/2g83) | Structure of activated G-alpha-i1 bound to a nucleotide-state-selective peptide: Minimal determinants for recognizing the active form of a G protein alpha subunit | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | Authors: | Johnston, C.A, Ramer, J.K, Blaesius, R, Kuhlman, B, Arshavsky, V.Y, Siderovski, D.P. | Deposit date: | 2006-03-01 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Minimal Determinants for Binding Activated Galpha from the Structure of a Galpha(i1)-Peptide Dimer. Biochemistry, 45, 2006
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1W1V
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![BU of 1w1v by Molmil](/molmil-images/mine/1w1v) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Arg-L-Pro) at 1.85 A resolution | Descriptor: | CHITINASE B, CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | Deposit date: | 2004-06-24 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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