2MP5
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![BU of 2mp5 by Molmil](/molmil-images/mine/2mp5) | Structure of Bitistatin B | Descriptor: | Disintegrin bitistatin | Authors: | Carbajo, R.J, Calvete, J, Sanz, L, Perez, A. | Deposit date: | 2014-05-11 | Release date: | 2014-11-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR structure of bitistatin - a missing piece in the evolutionary pathway of snake venom disintegrins. Febs J., 282, 2015
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2QK9
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![BU of 2qk9 by Molmil](/molmil-images/mine/2qk9) | Human RNase H catalytic domain mutant D210N in complex with 18-mer RNA/DNA hybrid | Descriptor: | 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*T)-3', 5'-R(*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*C)-3', CITRATE ANION, ... | Authors: | Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W. | Deposit date: | 2007-07-10 | Release date: | 2007-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription Mol.Cell, 28, 2007
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2QKB
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![BU of 2qkb by Molmil](/molmil-images/mine/2qkb) | Human RNase H catalytic domain mutant D210N in complex with 20-mer RNA/DNA hybrid | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*DGP*DGP*DAP*DAP*DTP*DCP*DAP*DGP*DGP*DTP*DGP*DTP*DCP*DGP*DCP*DAP*DCP*DTP*DCP*DT)-3', 5'-R(*GP*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*C)-3'), ... | Authors: | Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W. | Deposit date: | 2007-07-10 | Release date: | 2007-11-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription Mol.Cell, 28, 2007
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2QKK
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![BU of 2qkk by Molmil](/molmil-images/mine/2qkk) | Human RNase H catalytic domain mutant D210N in complex with 14-mer RNA/DNA hybrid | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*G)-3', ... | Authors: | Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W. | Deposit date: | 2007-07-11 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription Mol.Cell, 28, 2007
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2QFH
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![BU of 2qfh by Molmil](/molmil-images/mine/2qfh) | Solution Structure of the C-terminal SCR-16/20 fragment of Complement Factor H. | Descriptor: | Complement factor H | Authors: | Okemefuna, A.I, Gilbert, H.E, Griggs, K.M, Ormsby, R.J, Gordon, D.L, Perkins, S.J. | Deposit date: | 2007-06-27 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | SOLUTION SCATTERING | Cite: | The regulatory SCR-1/5 and cell surface-binding SCR-16/20 fragments of factor H reveal partially folded-back solution structures and different self-associative properties. J.Mol.Biol., 375, 2008
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5OUP
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![BU of 5oup by Molmil](/molmil-images/mine/5oup) | Structure of TgPLP1 MACPF domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Perforin-like protein 1 | Authors: | Ni, T, Gilbert, R.J.C. | Deposit date: | 2017-08-24 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of monomeric and oligomeric forms of theToxoplasma gondiiperforin-like protein 1. Sci Adv, 4, 2018
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4C35
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![BU of 4c35 by Molmil](/molmil-images/mine/4c35) | PKA-S6K1 Chimera with compound 1 (NU1085) bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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4C7I
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![BU of 4c7i by Molmil](/molmil-images/mine/4c7i) | Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule | Descriptor: | DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | Deposit date: | 2013-09-20 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites. Org.Biomol.Chem., 12, 2014
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1MVI
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![BU of 1mvi by Molmil](/molmil-images/mine/1mvi) | N-TYPE CALCIUM CHANNEL BLOCKER, OMEGA-CONOTOXIN MVIIA, NMR, 15 STRUCTURES | Descriptor: | MVIIA | Authors: | Nielsen, K.J, Thomas, L, Lewis, R.J, Alewood, P.F, Craik, D.J. | Deposit date: | 1996-08-02 | Release date: | 1997-08-12 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | A consensus structure for omega-conotoxins with different selectivities for voltage-sensitive calcium channel subtypes: comparison of MVIIA, SVIB and SNX-202. J.Mol.Biol., 263, 1996
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2J94
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![BU of 2j94 by Molmil](/molmil-images/mine/2j94) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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4C0U
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![BU of 4c0u by Molmil](/molmil-images/mine/4c0u) | Cryo-EM reconstruction of enterovirus 71 in complex with a neutralizing antibody E18 | Descriptor: | FAB EV18 4 D6-1 F1 G9, VP1, VP2, ... | Authors: | Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2013-08-08 | Release date: | 2014-02-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71. Proc.Natl.Acad.Sci.USA, 111, 2014
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4C33
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![BU of 4c33 by Molmil](/molmil-images/mine/4c33) | PKA-S6K1 Chimera Apo | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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2J70
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![BU of 2j70 by Molmil](/molmil-images/mine/2j70) | Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
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1MVJ
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![BU of 1mvj by Molmil](/molmil-images/mine/1mvj) | N-TYPE CALCIUM CHANNEL BLOCKER, OMEGA-CONOTOXIN MVIIA NMR, 15 STRUCTURES | Descriptor: | SVIB | Authors: | Nielsen, K.J, Thomas, L, Lewis, R.J, Alewood, P.F, Craik, D.J. | Deposit date: | 1996-08-02 | Release date: | 1997-08-12 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | A consensus structure for omega-conotoxins with different selectivities for voltage-sensitive calcium channel subtypes: comparison of MVIIA, SVIB and SNX-202. J.Mol.Biol., 263, 1996
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1N1U
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![BU of 1n1u by Molmil](/molmil-images/mine/1n1u) | NMR structure of [Ala1,15]kalata B1 | Descriptor: | kalata B1 | Authors: | Daly, N.L, Clark, R.J, Craik, D.J. | Deposit date: | 2002-10-20 | Release date: | 2003-02-25 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Disulfide Folding Pathways of Cystine Knot Proteins. TYING THE KNOT WITHIN THE CIRCULAR BACKBONE OF THE CYCLOTIDES J.Biol.Chem., 278, 2003
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5OUO
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![BU of 5ouo by Molmil](/molmil-images/mine/5ouo) | Structure of TgPLP1 APCbeta domain | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Perforin-like protein 1 | Authors: | Ni, T, Gilbert, R.J.C. | Deposit date: | 2017-08-24 | Release date: | 2018-04-11 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structures of monomeric and oligomeric forms of theToxoplasma gondiiperforin-like protein 1. Sci Adv, 4, 2018
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2J4I
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![BU of 2j4i by Molmil](/molmil-images/mine/2j4i) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ... | Authors: | Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2006-08-31 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs. Bioorg.Med.Chem.Lett., 16, 2006
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5OUQ
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![BU of 5ouq by Molmil](/molmil-images/mine/5ouq) | Structure of TgPLP1 MACPF domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Perforin-like protein 1 | Authors: | Ni, T, Gilbert, R.J.C. | Deposit date: | 2017-08-24 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (5.11 Å) | Cite: | Structures of monomeric and oligomeric forms of theToxoplasma gondiiperforin-like protein 1. Sci Adv, 4, 2018
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4CMF
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![BU of 4cmf by Molmil](/molmil-images/mine/4cmf) | The (R)-selective transaminase from Nectria haematococca with inhibitor bound | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, AMINOTRANSFERASE, ... | Authors: | Sayer, C, Isupov, M, Martinez-Torres, R.J, Richter, N, Hailes, H.C, Ward, J, Littlechild, J. | Deposit date: | 2014-01-16 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Substrate Specificity, Enantioselectivity and Structure of the (R)-Selective Amine:Pyruvate Transaminase from Nectria Haematococca. FEBS J., 281, 2014
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2J6Z
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![BU of 2j6z by Molmil](/molmil-images/mine/2j6z) | Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
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7R6R
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![BU of 7r6r by Molmil](/molmil-images/mine/7r6r) | Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)-3'), Immunity repressor | Authors: | McGinnis, R.J, Brambley, C.A, Stamey, B, Green, W.C, Gragg, K.N, Cafferty, E.R, Terwilliger, T.C, Hammel, M, Hollis, T.J, Miller, J.M, Gainey, M.D, Wallen, J.R. | Deposit date: | 2021-06-23 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence. Nat Commun, 13, 2022
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2JTP
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5OPG
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![BU of 5opg by Molmil](/molmil-images/mine/5opg) | Structure of the Hantaan virus Gn glycoprotein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | Authors: | Rissanen, I, Stass, R, Zeltina, A, Li, S, Hepojoki, J, Harlos, K, Gilbert, R.J.C, Huiskonen, J.T, Bowden, T.A. | Deposit date: | 2017-08-09 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Transitions of the Conserved and Metastable Hantaviral Glycoprotein Envelope. J. Virol., 91, 2017
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4UFI
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![BU of 4ufi by Molmil](/molmil-images/mine/4ufi) | Mouse Galactocerebrosidase complexed with aza-galacto-fagomine AGF | Descriptor: | (3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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7ROX
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![BU of 7rox by Molmil](/molmil-images/mine/7rox) | BthTX-I complexed with inhibitor MMV | Descriptor: | 12-methoxy-Nb-methylvoachalotine, Basic phospholipase A2 homolog bothropstoxin-I | Authors: | Borges, R.J, De Marino, I, Uson, I, Fontes, M.R.M. | Deposit date: | 2021-08-02 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of a snake venom phospholipase A 2 -like protein complexed to an inhibitor from Tabernaemontana catharinensis. Biochimie, 206, 2023
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