2M7R
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![BU of 2m7r by Molmil](/molmil-images/mine/2m7r) | Nmda receptor antagonist, conantokin bk-b, nmr, 20 structure | Descriptor: | CONANTOKIN BK-B | Authors: | Curtice, K.J, Platt, R.J, Skalicky, J.J, Horvath, M.P, Twede, V.D. | Deposit date: | 2013-04-29 | Release date: | 2014-02-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | From molecular phylogeny towards differentiating pharmacology for NMDA receptor subtypes. Toxicon, 81C, 2014
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1SQV
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![BU of 1sqv by Molmil](/molmil-images/mine/1sqv) | Crystal Structure Analysis of Bovine Bc1 with UHDBT | Descriptor: | 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE, Cytochrome b, Cytochrome c1, ... | Authors: | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | Deposit date: | 2004-03-19 | Release date: | 2005-09-06 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex. J.Mol.Biol., 341, 2004
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305D
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2MWR
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![BU of 2mwr by Molmil](/molmil-images/mine/2mwr) | Solution Structure of Acidocin B, a Circular Bacteriocin from Lactobacillus acidophilus M46 | Descriptor: | Acidocin B | Authors: | Vederas, J.C, Acedo, J.Z, van Belkum, M.J, Lohans, C.T. | Deposit date: | 2014-11-19 | Release date: | 2015-03-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structure of Acidocin B, a Circular Bacteriocin Produced by Lactobacillus acidophilus M46. Appl.Environ.Microbiol., 81, 2015
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306D
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3NAM
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![BU of 3nam by Molmil](/molmil-images/mine/3nam) | SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg | Descriptor: | (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2010-06-02 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
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3NAL
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![BU of 3nal by Molmil](/molmil-images/mine/3nal) | SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB | Descriptor: | (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2010-06-02 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
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4E2I
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![BU of 4e2i by Molmil](/molmil-images/mine/4e2i) | The Complex Structure of the SV40 Helicase Large T Antigen and p68 Subunit of DNA Polymerase Alpha-Primase | Descriptor: | DNA polymerase alpha subunit B, Large T antigen, ZINC ION | Authors: | Zhou, B, Arnett, D.R, Yu, X, Brewster, A, Sowd, G.A, Xie, C.L, Vila, S, Gai, D, Fanning, E, Chen, X.S. | Deposit date: | 2012-03-08 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Structural basis for the interaction of a hexameric replicative helicase with the regulatory subunit of human DNA polymerase alpha-primase. J.Biol.Chem., 287, 2012
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5U1I
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![BU of 5u1i by Molmil](/molmil-images/mine/5u1i) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the methylated Kanamycin B | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CALCIUM ION, Putative gentamicin methyltransferase, ... | Authors: | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2016-11-28 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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2UVX
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![BU of 2uvx by Molmil](/molmil-images/mine/2uvx) | Structure of PKA-PKB chimera complexed with 7-azaindole | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2007-03-15 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
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4QHL
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![BU of 4qhl by Molmil](/molmil-images/mine/4qhl) | I3.2 (unbound) from CH103 Lineage | Descriptor: | I3 heavy chain, UCA light chain | Authors: | Fera, D, Harrison, S.C. | Deposit date: | 2014-05-28 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains. Proc.Natl.Acad.Sci.USA, 111, 2014
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1WAV
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![BU of 1wav by Molmil](/molmil-images/mine/1wav) | CRYSTAL STRUCTURE OF FORM B MONOCLINIC CRYSTAL OF INSULIN | Descriptor: | INSULIN, PHENOL, ZINC ION | Authors: | Liang, D.-C, Ding, J.-H, Chang, W.-R, Wan, Z.-L. | Deposit date: | 1996-02-28 | Release date: | 1997-02-28 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular replacement study on form-B monoclinic crystal of insulin. Sci.China, Ser.C: Life Sci., 39, 1996
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2YGL
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![BU of 2ygl by Molmil](/molmil-images/mine/2ygl) | The X-ray crystal structure of tandem CBM51 modules of Sp3GH98, the family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 | Descriptor: | BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE, CALCIUM ION | Authors: | Higgins, M.A, Ficko-Blean, E, Wright, C, Meloncelli, P.J, Lowary, T.L, Boraston, A.B. | Deposit date: | 2011-04-18 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes. J.Mol.Biol., 411, 2011
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1B5B
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![BU of 1b5b by Molmil](/molmil-images/mine/1b5b) | RAT FERROCYTOCHROME B5 B CONFORMATION, NMR, 1 STRUCTURE | Descriptor: | FERROCYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dangi, B, Sarma, S, Yan, C, Banville, D, Guiles, R.D. | Deposit date: | 1998-04-06 | Release date: | 1998-06-17 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | The origin of differences in the physical properties of the equilibrium forms of cytochrome b5 revealed through high-resolution NMR structures and backbone dynamic analyses. Biochemistry, 37, 1998
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4EJ4
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![BU of 4ej4 by Molmil](/molmil-images/mine/4ej4) | Structure of the delta opioid receptor bound to naltrindole | Descriptor: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, Delta-type opioid receptor, Lysozyme chimera | Authors: | Granier, S, Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Weis, W.I, Kobilka, B.K. | Deposit date: | 2012-04-06 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of the delta opioid receptor bound to naltrindole Nature, 485, 2012
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2ORX
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![BU of 2orx by Molmil](/molmil-images/mine/2orx) | Structural Basis for Ligand Binding and Heparin Mediated Activation of Neuropilin | Descriptor: | Neuropilin-1 | Authors: | Vander Kooi, C.W, Jusino, M.A, Perman, B, Neau, D.B, Bellamy, H.D, Leahy, D.J. | Deposit date: | 2007-02-05 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for ligand and heparin binding to neuropilin B domains Proc.Natl.Acad.Sci.Usa, 104, 2007
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2JET
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![BU of 2jet by Molmil](/molmil-images/mine/2jet) | Crystal structure of a trypsin-like mutant (S189D , A226G) chymotrypsin. | Descriptor: | CHYMOTRYPSINOGEN B CHAIN A, CHYMOTRYPSINOGEN B CHAIN B, CHYMOTRYPSINOGEN B CHAIN C | Authors: | Jelinek, B, Katona, G, Fodor, K, Venekei, I, Graf, L. | Deposit date: | 2007-01-22 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of a Trypsin-Like Mutant Chymotrypsin: The Role of Position 226 in the Activity and Specificity of S189D Chymotrypsin. Protein J., 27, 2008
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2YPL
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![BU of 2ypl by Molmil](/molmil-images/mine/2ypl) | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | Descriptor: | AGA T-CELL RECEPTOR ALPHA CHAIN, AGA T-CELL RECEPTOR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | Authors: | Stewart-Jones, G.B, Simpson, P, van der Merwe, P.A, Easterbrook, P, McMichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | Deposit date: | 2012-10-30 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms. Proc.Natl.Acad.Sci.USA, 109, 2012
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3OE6
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![BU of 3oe6 by Molmil](/molmil-images/mine/3oe6) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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2ORZ
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![BU of 2orz by Molmil](/molmil-images/mine/2orz) | Structural Basis for Ligand Binding and Heparin Mediated Activation of Neuropilin | Descriptor: | Neuropilin-1, Tuftsin | Authors: | Vander Kooi, C.W, Jusino, M.A, Perman, B, Neau, D.B, Bellamy, H.D, Leahy, D.J. | Deposit date: | 2007-02-05 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for ligand and heparin binding to neuropilin B domains. Proc.Natl.Acad.Sci.Usa, 104, 2007
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1YQY
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![BU of 1yqy by Molmil](/molmil-images/mine/1yqy) | Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor | Descriptor: | (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE, Lethal factor, ZINC ION | Authors: | Shoop, W.L, Xiong, Y, Wiltsie, J, Woods, A, Guo, J, Pivnichny, J.V, Felcetto, T, Michael, B.F, Bansal, A. | Deposit date: | 2005-02-02 | Release date: | 2005-05-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Anthrax lethal factor inhibition. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XOZ
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![BU of 1xoz by Molmil](/molmil-images/mine/1xoz) | Catalytic Domain Of Human Phosphodiesterase 5A In Complex With Tadalafil | Descriptor: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-07 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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7FAR
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![BU of 7far by Molmil](/molmil-images/mine/7far) | Crystal structure of PDE5A in complex with inhibitor L12 | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40006471 Å) | Cite: | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
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1BXH
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![BU of 1bxh by Molmil](/molmil-images/mine/1bxh) | CONCANAVALIN A COMPLEXED TO METHYL ALPHA1-2 MANNOBIOSIDE | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Moothoo, D.N, Canaan, B, Field, R.A, Naismith, J.H. | Deposit date: | 1998-10-02 | Release date: | 1998-10-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Man alpha1-2 Man alpha-OMe-concanavalin A complex reveals a balance of forces involved in carbohydrate recognition. Glycobiology, 9, 1999
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3B3I
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![BU of 3b3i by Molmil](/molmil-images/mine/3b3i) | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Beltrami, A, Rossmann, M, Fiorillo, M.T, Paladini, F, Sorrentino, R, Saenger, W, Kumar, P, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2007-10-22 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes. J.Biol.Chem., 283, 2008
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