3ERN
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![BU of 3ern by Molmil](/molmil-images/mine/3ern) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTOSINE ARABINOSE-5'-PHOSPHATE, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L, Kemp, L.A. | Deposit date: | 2008-10-02 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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2ICI
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5KLS
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![BU of 5kls by Molmil](/molmil-images/mine/5kls) | Structure of CavAb in complex with Br-dihydropyridine derivative UK-59811 | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2016-06-25 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
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8IKD
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1SXX
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![BU of 1sxx by Molmil](/molmil-images/mine/1sxx) | 1.0 A Crystal Structure of D129A/L130A Mutant of Nitrophorin 4 Complexed with Nitric Oxide | Descriptor: | NITRIC OXIDE, Nitrophorin 4, PHOSPHATE ION, ... | Authors: | Maes, E.M, Weichsel, A, Andersen, J.F, Shepley, D, Montfort, W.R. | Deposit date: | 2004-03-31 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4 Biochemistry, 43, 2004
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1KAK
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![BU of 1kak by Molmil](/molmil-images/mine/1kak) | Human Tyrosine Phosphatase 1B Complexed with an Inhibitor | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, {[7-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-PHOSPHONIC ACID | Authors: | Jia, Z, Ye, Q, Dinaut, A.N, Wang, Q, Waddleton, D, Payette, P, Ramachandran, C, Kennedy, B, Hum, G, Taylor, S.D. | Deposit date: | 2001-11-02 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimetics. J.Med.Chem., 44, 2001
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7T7O
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5KMH
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![BU of 5kmh by Molmil](/molmil-images/mine/5kmh) | Structure of CavAb in complex with Br-verapamil | Descriptor: | (2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2016-06-27 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
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8A45
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3ESY
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![BU of 3esy by Molmil](/molmil-images/mine/3esy) | E16KE61K Flavodoxin from Anabaena | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Goni, G, Medina, M. | Deposit date: | 2008-10-06 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase Biochim.Biophys.Acta, 1787, 2009
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8A5K
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4RJF
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6JGR
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![BU of 6jgr by Molmil](/molmil-images/mine/6jgr) | Crystal structure of barley exohydrolaseI W434Y in complex with 4'-nitrophenyl thiolaminaribioside | Descriptor: | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-02-14 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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1T8G
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![BU of 1t8g by Molmil](/molmil-images/mine/1t8g) | Crystal structure of phage T4 lysozyme mutant L32A/L33A/T34A/C54T/C97A/E108V | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... | Authors: | He, M.M, Wood, Z.A, Baase, W.A, Xiao, H, Matthews, B.W. | Deposit date: | 2004-05-12 | Release date: | 2004-10-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Alanine-scanning mutagenesis of the beta-sheet region of phage T4 lysozyme suggests that tertiary context has a dominant effect on beta-sheet formation. Protein Sci., 13, 2004
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6QA9
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![BU of 6qa9 by Molmil](/molmil-images/mine/6qa9) | Isolated complex I class refinement from Ovine respiratory supercomplex I+III2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | Authors: | Letts, J.A, Sazanov, L.A. | Deposit date: | 2018-12-19 | Release date: | 2019-08-21 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
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6QC8
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![BU of 6qc8 by Molmil](/molmil-images/mine/6qc8) | Ovine respiratory complex I FRC open class 2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | Authors: | Letts, J.A, Sazanov, L.A. | Deposit date: | 2018-12-27 | Release date: | 2019-08-21 | Last modified: | 2019-10-02 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
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6PYY
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![BU of 6pyy by Molmil](/molmil-images/mine/6pyy) | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | Deposit date: | 2019-07-31 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase. J.Am.Chem.Soc., 141, 2019
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4RJ0
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4RIZ
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![BU of 4riz by Molmil](/molmil-images/mine/4riz) | |
8A7V
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![BU of 8a7v by Molmil](/molmil-images/mine/8a7v) | |
7TA6
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![BU of 7ta6 by Molmil](/molmil-images/mine/7ta6) | Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | Authors: | Niu, J, Bingman, C.A, Gellman, S.H. | Deposit date: | 2021-12-20 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling. J.Am.Chem.Soc., 144, 2022
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1TAH
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![BU of 1tah by Molmil](/molmil-images/mine/1tah) | THE CRYSTAL STRUCTURE OF TRIACYLGLYCEROL LIPASE FROM PSEUDOMONAS GLUMAE REVEALS A PARTIALLY REDUNDANT CATALYTIC ASPARTATE | Descriptor: | CALCIUM ION, LIPASE | Authors: | Noble, M.E.M, Cleasby, A, Johnson, L.N, Egmond, M, Frenken, L.G.J. | Deposit date: | 1993-12-21 | Release date: | 1994-05-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of triacylglycerol lipase from Pseudomonas glumae reveals a partially redundant catalytic aspartate. FEBS Lett., 331, 1993
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4RKV
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![BU of 4rkv by Molmil](/molmil-images/mine/4rkv) | Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions | Descriptor: | CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... | Authors: | Fyfe, A.C, Dunten, P.W, Scott, W.G. | Deposit date: | 2014-10-14 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol., 427, 2015
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7TGS
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![BU of 7tgs by Molmil](/molmil-images/mine/7tgs) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt | Descriptor: | (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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5KZV
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![BU of 5kzv by Molmil](/molmil-images/mine/5kzv) | Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol | Descriptor: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened | Authors: | Huang, P, Kim, Y, Salic, A. | Deposit date: | 2016-07-25 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.616 Å) | Cite: | Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling. Cell, 166, 2016
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