5F5R
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![BU of 5f5r by Molmil](/molmil-images/mine/5f5r) | TRAP1N-ADPNP | Descriptor: | Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ... | Authors: | Tsai, F.T.F, Lee, S, Sung, N, Lee, J, Chang, C, Joachimiak, A. | Deposit date: | 2015-12-04 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mitochondrial Hsp90 is a ligand-activated molecular chaperone coupling ATP binding to dimer closure through a coiled-coil intermediate. Proc.Natl.Acad.Sci.USA, 113, 2016
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6YGV
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![BU of 6ygv by Molmil](/molmil-images/mine/6ygv) | tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with (E)-N-ethyl-4-oxo-4-phenylbut-2-enamide | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | Authors: | Nguyen, A, Heyder, L, Heine, A, Diederich, W, Klebe, G. | Deposit date: | 2020-03-27 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Ligands disturb dimer contacts To Be Published
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3LET
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![BU of 3let by Molmil](/molmil-images/mine/3let) | Crystal Structure of Fic domain containing AMPylator, VopS | Descriptor: | Adenosine monophosphate-protein transferase vopS | Authors: | Luong, P.H, Kinch, L.N, Brautigam, C.A, Grishin, N.V, Tomchick, D.R, Orth, K. | Deposit date: | 2010-01-15 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Structural and Kinetic Analysis of VopS with Fic Domain Supports a Direct Transfer Mechanism for AMPylation To be Published
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6DWI
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![BU of 6dwi by Molmil](/molmil-images/mine/6dwi) | |
1IUB
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![BU of 1iub by Molmil](/molmil-images/mine/1iub) | Fucose-specific lectin from Aleuria aurantia (Hg-derivative form) | Descriptor: | CHLORIDE ION, Fucose-specific lectin, MERCURY (II) ION, ... | Authors: | Fujihashi, M, Peapus, D.H, Kamiya, N, Nagata, Y, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-01 | Release date: | 2003-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of Fucose-Specific Lectin from Aleuria aurantia Binding Ligands at Three of Its Five Sugar Recognition Sites Biochemistry, 42, 2003
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6DW2
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7S4Z
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![BU of 7s4z by Molmil](/molmil-images/mine/7s4z) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S4Y
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![BU of 7s4y by Molmil](/molmil-images/mine/7s4y) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S4W
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![BU of 7s4w by Molmil](/molmil-images/mine/7s4w) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S50
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![BU of 7s50 by Molmil](/molmil-images/mine/7s50) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, CHLORIDE ION, ... | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S4R
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![BU of 7s4r by Molmil](/molmil-images/mine/7s4r) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - alpha Spectrin-SH3 domain | Descriptor: | Spectrin alpha chain, non-erythrocytic 1 | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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1S1M
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![BU of 1s1m by Molmil](/molmil-images/mine/1s1m) | Crystal Structure of E. Coli CTP Synthetase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, IODIDE ION, ... | Authors: | Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P. | Deposit date: | 2004-01-06 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Escherichia coli Cytidine Triphosphate Synthetase, a Nucleotide-Regulated Glutamine Amidotransferase/ATP-Dependent Amidoligase Fusion Protein and Homologue of Anticancer and Antiparasitic Drug Targets Biochemistry, 43, 2004
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3HTB
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![BU of 3htb by Molmil](/molmil-images/mine/3htb) | 2-propylphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | 2-propylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HT7
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![BU of 3ht7 by Molmil](/molmil-images/mine/3ht7) | 2-ethylphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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1WY8
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![BU of 1wy8 by Molmil](/molmil-images/mine/1wy8) | Solution Structure of the N-terminal Ubiquitin-like Domain in Human Np95/ICBP90-like Ring Finger Protein (NIRF) | Descriptor: | Np95-like ring finger protein, isoform a | Authors: | Zhao, C, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-02-09 | Release date: | 2005-08-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of the N-terminal Ubiquitin-like Domain
in Human Np95/ICBP90-like Ring Finger Protein (NIRF) To be Published
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3HTF
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![BU of 3htf by Molmil](/molmil-images/mine/3htf) | 4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q | Descriptor: | 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3NYT
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![BU of 3nyt by Molmil](/molmil-images/mine/3nyt) | X-ray crystal structure of the WlbE (WpbE) aminotransferase from pseudomonas aeruginosa, mutation K185A, in complex with the PLP external aldimine adduct with UDP-3-amino-2-N-acetyl-glucuronic acid, at 1.3 angstrom resolution | Descriptor: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), Aminotransferase WbpE, SODIUM ION | Authors: | Holden, H.M, Thoden, J.B. | Deposit date: | 2010-07-15 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase. Protein Sci., 26, 2017
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1JDJ
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![BU of 1jdj by Molmil](/molmil-images/mine/1jdj) | CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE | Descriptor: | 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE | Authors: | Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2001-06-14 | Release date: | 2002-06-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase. Chem.Biol., 9, 2002
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1WCU
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![BU of 1wcu by Molmil](/molmil-images/mine/1wcu) | CBM29_1, A Family 29 Carbohydrate Binding Module from Piromyces equi | Descriptor: | GLYCEROL, NON-CATALYTIC PROTEIN 1 | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davis, G.J, Gilbert, H.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
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1DWT
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![BU of 1dwt by Molmil](/molmil-images/mine/1dwt) | Photorelaxed horse heart MYOGLOBIN CO complex | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | Deposit date: | 1999-12-12 | Release date: | 2000-03-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin Nature, 403, 2000
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6F7Q
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![BU of 6f7q by Molmil](/molmil-images/mine/6f7q) | Human Butyrylcholinesterase complexed with N-Propargyliperidines | Descriptor: | 1,2-ETHANEDIOL, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | Deposit date: | 2017-12-11 | Release date: | 2018-09-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities. Eur.J.Med.Chem., 156, 2018
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4GQI
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![BU of 4gqi by Molmil](/molmil-images/mine/4gqi) | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide, ... | Authors: | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | Deposit date: | 2012-08-23 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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1DWR
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![BU of 1dwr by Molmil](/molmil-images/mine/1dwr) | MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH CO | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | Deposit date: | 1999-12-11 | Release date: | 2000-03-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin Nature, 403, 2000
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7OJ9
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![BU of 7oj9 by Molmil](/molmil-images/mine/7oj9) | |
4YH3
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![BU of 4yh3 by Molmil](/molmil-images/mine/4yh3) | Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a) | Descriptor: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | White, A, Lakshminarasimhan, D, Suto, R.K. | Deposit date: | 2015-02-26 | Release date: | 2016-01-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design. Bioorg.Med.Chem.Lett., 25, 2015
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