7VIH
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![BU of 7vih by Molmil](/molmil-images/mine/7vih) | Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CBP-307 | Descriptor: | 1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B. | Deposit date: | 2021-09-26 | Release date: | 2022-09-28 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural insights into sphingosine-1-phosphate receptor activation. Proc.Natl.Acad.Sci.USA, 119, 2022
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3VSB
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![BU of 3vsb by Molmil](/molmil-images/mine/3vsb) | SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-09-25 | Release date: | 1998-03-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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4E4L
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![BU of 4e4l by Molmil](/molmil-images/mine/4e4l) | JAK1 kinase (JH1 domain) in complex with compound 30 | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C. | Deposit date: | 2012-03-13 | Release date: | 2012-05-30 | Last modified: | 2012-07-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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2JDO
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![BU of 2jdo by Molmil](/molmil-images/mine/2jdo) | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE | Descriptor: | 1,2-ETHANEDIOL, GLYCOGEN SYNTHASE KINASE-3 BETA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE, ... | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, Mchardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | Deposit date: | 2007-01-11 | Release date: | 2007-02-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera J.Mol.Biol., 367, 2007
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1X9Y
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![BU of 1x9y by Molmil](/molmil-images/mine/1x9y) | The prostaphopain B structure | Descriptor: | cysteine proteinase | Authors: | Filipek, R, Szczepanowski, R, Sabat, A, Potempa, J, Bochtler, M. | Deposit date: | 2004-08-24 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Prostaphopain B structure: a comparison of proregion-mediated and staphostatin-mediated protease inhibition. Biochemistry, 43, 2004
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3CZF
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![BU of 3czf by Molmil](/molmil-images/mine/3czf) | Crystal structure of HLA-B*2709 complexed with the glucagon receptor (GR) peptide (residues 412-420) | Descriptor: | BETA-2-MICROGLOBULIN, GLUCAGON RECEPTOR PEPTIDE, GLYCEROL, ... | Authors: | Loll, B, Fiorillo, M.T, Rueckert, C, Saenger, W, Sorrentino, R, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2008-04-29 | Release date: | 2009-04-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Conformational Plasticity of HLA-B27 Molecules Correlates Inversely With Efficiency of Negative T Cell Selection. Front Immunol, 11, 2020
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5UDR
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![BU of 5udr by Molmil](/molmil-images/mine/5udr) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with nicotinamide mononucleotid NMN | Descriptor: | ATP-utilizing enzyme of the PP-loopsuperfamily, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MANGANESE (II) ION | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2016-12-28 | Release date: | 2017-08-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4DKP
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![BU of 4dkp by Molmil](/molmil-images/mine/4dkp) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | Deposit date: | 2012-02-03 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7978 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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2BOS
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![BU of 2bos by Molmil](/molmil-images/mine/2bos) | A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR | Descriptor: | N-BUTANE, PROTEIN (SHIGA-LIKE TOXIN IIE B SUBUNIT), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ... | Authors: | Ling, H, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. | Deposit date: | 1998-10-20 | Release date: | 1999-10-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A mutant Shiga-like toxin IIe bound to its receptor Gb(3): structure of a group II Shiga-like toxin with altered binding specificity. Structure Fold.Des., 8, 2000
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6J47
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![BU of 6j47 by Molmil](/molmil-images/mine/6j47) | |
4E4M
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![BU of 4e4m by Molmil](/molmil-images/mine/4e4m) | JAK2 kinase (JH1 domain) in complex with compound 30 | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C. | Deposit date: | 2012-03-13 | Release date: | 2012-05-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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2W3F
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![BU of 2w3f by Molmil](/molmil-images/mine/2w3f) | |
3RO5
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![BU of 3ro5 by Molmil](/molmil-images/mine/3ro5) | Crystal structure of influenza A virus nucleoprotein with ligand | Descriptor: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone | Authors: | Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R. | Deposit date: | 2011-04-25 | Release date: | 2011-09-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers. Proc.Natl.Acad.Sci.USA, 108, 2011
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3T47
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5T84
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![BU of 5t84 by Molmil](/molmil-images/mine/5t84) | HIV-1 protease, unbound subtype B L63P construct | Descriptor: | Protease | Authors: | Liu, Z, Norell, J, Mahon, B, Poole, K, McKenna, R, Fanucci, G. | Deposit date: | 2016-09-06 | Release date: | 2017-09-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease To Be Published
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4N0B
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![BU of 4n0b by Molmil](/molmil-images/mine/4n0b) | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT | Descriptor: | ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ... | Authors: | Edayathumangalam, R, Wu, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2013-10-01 | Release date: | 2013-10-30 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT. Proc.Natl.Acad.Sci.USA, 110, 2013
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4DKR
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![BU of 4dkr by Molmil](/molmil-images/mine/4dkr) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | Deposit date: | 2012-02-03 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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2PB1
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![BU of 2pb1 by Molmil](/molmil-images/mine/2pb1) | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A | Descriptor: | 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Hypothetical protein XOG1 | Authors: | Cutfield, S.M, Cutfield, J.F, Davies, G.J, Sullivan, P.A. | Deposit date: | 2007-03-28 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A To be Published
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3T48
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5D87
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![BU of 5d87 by Molmil](/molmil-images/mine/5d87) | Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F/S185G variant | Descriptor: | MAGNESIUM ION, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2015-08-15 | Release date: | 2016-02-03 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry, 55, 2016
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4F6Z
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![BU of 4f6z by Molmil](/molmil-images/mine/4f6z) | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site | Descriptor: | Beta-lactamase, CITRATE ANION, ZINC ION | Authors: | Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2012-05-15 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site Antimicrob.Agents Chemother., 56, 2012
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1KJV
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![BU of 1kjv by Molmil](/molmil-images/mine/1kjv) | TAP-B-associated rat MHC class I molecule | Descriptor: | Mature alpha chain of major histocompatibility complex class I antigen (HEAVY CHAIN), SULFATE ION, beta-2-microglobulin, ... | Authors: | Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A. | Deposit date: | 2001-12-05 | Release date: | 2002-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially
with peptide transporter alleles TAP-A and TAP-B. J.Mol.Biol., 324, 2002
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1KQF
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![BU of 1kqf by Molmil](/molmil-images/mine/1kqf) | FORMATE DEHYDROGENASE N FROM E. COLI | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CARDIOLIPIN, FORMATE DEHYDROGENASE, ... | Authors: | Jormakka, M, Tornroth, S, Byrne, B, Iwata, S. | Deposit date: | 2002-01-05 | Release date: | 2002-03-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of proton motive force generation: structure of formate dehydrogenase-N. Science, 295, 2002
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2WMH
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![BU of 2wmh by Molmil](/molmil-images/mine/2wmh) | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae TIGR4 in complex with the H- disaccharide blood group antigen. | Descriptor: | FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose | Authors: | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2009-06-30 | Release date: | 2009-07-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases. J.Biol.Chem., 284, 2009
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2BXS
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![BU of 2bxs by Molmil](/molmil-images/mine/2bxs) | Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form B | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE | Authors: | De Colibus, L, Binda, C, Edmondson, D.E, Mattevi, A. | Deposit date: | 2005-07-27 | Release date: | 2005-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B Proc.Natl.Acad.Sci.USA, 102, 2005
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