1Q1M
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![BU of 1q1m by Molmil](/molmil-images/mine/1q1m) | A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors | Descriptor: | 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R. | Deposit date: | 2003-07-22 | Release date: | 2003-09-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor. J.Med.Chem., 46, 2003
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1Q2O
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![BU of 1q2o by Molmil](/molmil-images/mine/1q2o) | Bovine endothelial nitric oxide synthase N368D mutant heme domain dimer with L-N(omega)-nitroarginine-2,4-L-diaminobutyramide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-07-25 | Release date: | 2004-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
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3E3U
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![BU of 3e3u by Molmil](/molmil-images/mine/3e3u) | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | Descriptor: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | Authors: | Meng, W, Xu, M, Pan, S, Koehn, J. | Deposit date: | 2008-08-08 | Release date: | 2009-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results. Bioorg.Med.Chem.Lett., 18, 2008
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4AC0
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![BU of 4ac0 by Molmil](/molmil-images/mine/4ac0) | TETR(B) IN COMPLEX WITH MINOCYCLINE AND MAGNESIUM | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Volkers, G, Hinrichs, W. | Deposit date: | 2011-12-12 | Release date: | 2012-12-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Tetr(B) in Complex with Minocycline and Magnesium To be Published
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1PQ5
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![BU of 1pq5 by Molmil](/molmil-images/mine/1pq5) | Trypsin at pH 5, 0.85 A | Descriptor: | ARGININE, SULFATE ION, Trypsin | Authors: | Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. | Deposit date: | 2003-06-18 | Release date: | 2003-11-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS. J.Biol.Chem., 278, 2003
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1PN3
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![BU of 1pn3 by Molmil](/molmil-images/mine/1pn3) | Crystal Structure of TDP-epi-Vancosaminyltransferase GtfA in complexes with TDP and the acceptor substrate DVV. | Descriptor: | DESVANCOSAMINYL VANCOMYCIN, GLYCOSYLTRANSFERASE GTFA, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Mulichak, A.M, Losey, H.C, Lu, W, Wawrzak, Z, Walsh, C.T, Garavito, R.M. | Deposit date: | 2003-06-12 | Release date: | 2003-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Tdp-Epi-Vancosaminyltransferase Gtfa from the Chloroeremomycin Biosynthetic Pathway. Proc.Natl.Acad.Sci.USA, 100, 2003
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2KWC
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![BU of 2kwc by Molmil](/molmil-images/mine/2kwc) | The NMR structure of the autophagy-related protein Atg8 | Descriptor: | Autophagy-related protein 8 | Authors: | Kumeta, H, Watanabe, M, Nakatogawa, H, Yamaguchi, M, Ogura, K, Adachi, W, Fujioka, Y, Noda, N.N, Ohsumi, Y, Inagaki, F. | Deposit date: | 2010-04-05 | Release date: | 2010-05-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The NMR structure of the autophagy-related protein Atg8 J.Biomol.Nmr, 47, 2010
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3E6U
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![BU of 3e6u by Molmil](/molmil-images/mine/3e6u) | Crystal structure of Human LanCL1 | Descriptor: | LanC-like protein 1, ZINC ION | Authors: | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | Deposit date: | 2008-08-16 | Release date: | 2009-06-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione Genes Dev., 23, 2009
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7XP7
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![BU of 7xp7 by Molmil](/molmil-images/mine/7xp7) | Crystal Structure of the Flavoprotein ColB1 Catalyzing Assembly Line-Tethered Cysteine Dehydrogenation | Descriptor: | Cyclohexanecarboxyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Ma, X.Y, Tang, Z.J, Liu, W, Ma, M. | Deposit date: | 2022-05-03 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Mechanistic Insights into ColB1, a Flavoprotein Functioning in-trans in the 2,2'-Bipyridine Assembly Line for Cysteine Dehydrogenation. Acs Chem.Biol., 18, 2023
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1PUU
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![BU of 1puu by Molmil](/molmil-images/mine/1puu) | Mistletoe lectin I in complex with lactose | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Krauspenhaar, R, Voelter, W, Stoeva, S, Mikhailov, A, Konareva, N, Betzel, C. | Deposit date: | 2003-06-25 | Release date: | 2004-06-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mistletoe lectin I in complex with galactose and lactose reveals distinct sugar-binding properties Acta Crystallogr.,Sect.F, 61, 2005
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1PUM
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![BU of 1pum by Molmil](/molmil-images/mine/1pum) | Mistletoe lectin I in complex with galactose | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Krauspenhaar, R, Voelter, W, Stoeva, S, Mikhailov, A, Konareva, N, Betzel, C. | Deposit date: | 2003-06-25 | Release date: | 2004-06-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mistletoe lectin I in complex with galactose and lactose reveals distinct sugar-binding properties Acta Crystallogr.,Sect.F, 61, 2005
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4A5N
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![BU of 4a5n by Molmil](/molmil-images/mine/4a5n) | Redoxregulator HypR in its reduced form | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR YYBR | Authors: | Palm, G.J, Waack, P, Read, R.J, Hinrichs, W. | Deposit date: | 2011-10-26 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Insights Into the Redox-Switch Mechanism of the Marr/Duf24-Type Regulator Hypr Nucleic Acids Res., 40, 2012
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5DI0
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![BU of 5di0 by Molmil](/molmil-images/mine/5di0) | Crystal structure of Dln1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-08-31 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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2KZG
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![BU of 2kzg by Molmil](/molmil-images/mine/2kzg) | A Transient and Low Populated Protein Folding Intermediate at Atomic Resolution | Descriptor: | Pre-mRNA-processing factor 40 homolog A | Authors: | Korzhnev, D.M, Religa, T.L, Banachewicz, W, Fersht, A.R, Kay, L.E. | Deposit date: | 2010-06-17 | Release date: | 2010-09-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A transient and low-populated protein-folding intermediate at atomic resolution. Science, 329, 2010
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3WEA
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![BU of 3wea by Molmil](/molmil-images/mine/3wea) | |
3EGH
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![BU of 3egh by Molmil](/molmil-images/mine/3egh) | Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1), the PP1 binding and PDZ domains of Spinophilin and the small natural molecular toxin Nodularin-R | Descriptor: | GLYCEROL, MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, ... | Authors: | Ragusa, M.J, Page, R, Peti, W. | Deposit date: | 2008-09-10 | Release date: | 2010-03-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Spinophilin directs protein phosphatase 1 specificity by blocking substrate binding sites. Nat.Struct.Mol.Biol., 17, 2010
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2KSF
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![BU of 2ksf by Molmil](/molmil-images/mine/2ksf) | Backbone structure of the membrane domain of E. coli histidine kinase receptor KdpD, Center for Structures of Membrane Proteins (CSMP) target 4312C | Descriptor: | Sensor protein kdpD | Authors: | Maslennikov, I, Klammt, C, Kefala, G, Okamura, M, Esquivies, L, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2010-01-03 | Release date: | 2010-03-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis. Proc.Natl.Acad.Sci.USA, 107, 2010
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3EPX
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![BU of 3epx by Molmil](/molmil-images/mine/3epx) | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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3WOJ
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![BU of 3woj by Molmil](/molmil-images/mine/3woj) | Crystal structure of the DAP BII | Descriptor: | GLYCEROL, ZINC ION, dipeptidyl aminopeptidase BII | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2013-12-29 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA SCI REP, 4, 2014
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2OXJ
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![BU of 2oxj by Molmil](/molmil-images/mine/2oxj) | Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers: GCN4-p1 with beta-residues at b and f heptad positions. | Descriptor: | ACETATE ION, hybrid alpha/beta peptide based on the GCN4-p1 sequence; heptad positions b and f substituted with beta-amino acids | Authors: | Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H. | Deposit date: | 2007-02-20 | Release date: | 2007-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers. J.Am.Chem.Soc., 129, 2007
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2KXK
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![BU of 2kxk by Molmil](/molmil-images/mine/2kxk) | Human Insulin Mutant A22Gly-B31Lys-B32Arg | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Bocian, W, Kozerski, L. | Deposit date: | 2010-05-07 | Release date: | 2011-06-01 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Novel recombinant insulin analogue with flexible C - terminus in B chain. NMR structure of biosynthetic engineered A22G-B31K-B32R human insulin monomer in water /acetonitrile solution. To be Published
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3ZPZ
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![BU of 3zpz by Molmil](/molmil-images/mine/3zpz) | Visualizing GroEL-ES in the Act of Encapsulating a Non-Native Substrate Protein | Descriptor: | 10 KDA CHAPERONIN, 60 KDA CHAPERONIN, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, D.-H, Madan, D, Weaver, J, Lin, Z, Schroder, G.F, Chiu, W, Rye, H.S. | Deposit date: | 2013-03-04 | Release date: | 2013-06-19 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Visualizing Groel/Es in the Act of Encapsulating a Folding Protein Cell(Cambridge,Mass.), 153, 2013
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2KVJ
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![BU of 2kvj by Molmil](/molmil-images/mine/2kvj) | NMR and MD solution structure of a Gamma-Methylated PNA duplex | Descriptor: | Gamma-Modified Peptide Nucleic Acid | Authors: | He, W, Crawford, M.J, Rapireddy, S, Madrid, M, Gil, R.R, Ly, D.H, Achim, C. | Deposit date: | 2010-03-15 | Release date: | 2010-05-12 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | The structure of a gamma-modified peptide nucleic acid duplex. Mol Biosyst, 6, 2010
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2KTT
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![BU of 2ktt by Molmil](/molmil-images/mine/2ktt) | Solution Structure of a Covalently Bound Pyrrolo[2,1-c][1,4]benzodiazepine-Benzimidazole Hybrid to a 10mer DNA Duplex | Descriptor: | (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | Authors: | Rettig, M, Weingarth, M, Langel, W, Kamal, A, Kumar, P.P, Weisz, K. | Deposit date: | 2010-02-08 | Release date: | 2010-03-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a covalently bound pyrrolo[2,1-c][1,4]benzodiazepine-benzimidazole hybrid to a 10mer DNA duplex. Biochemistry, 48, 2009
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5D2S
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![BU of 5d2s by Molmil](/molmil-images/mine/5d2s) | |