7Q27
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7Q29
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![BU of 7q29 by Molmil](/molmil-images/mine/7q29) | Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013 | Descriptor: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2021-10-23 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
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7Q25
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7Q24
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3HRK
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![BU of 3hrk by Molmil](/molmil-images/mine/3hrk) | Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidyl-adenylate complex) | Descriptor: | CHLORIDE ION, HISTIDYL-ADENOSINE MONOPHOSPHATE, Histidyl-tRNA synthetase | Authors: | Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2009-06-09 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs. J.Mol.Biol., 397, 2010
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6RAX
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![BU of 6rax by Molmil](/molmil-images/mine/6rax) | D. melanogaster CMG-DNA, State 1B | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | Authors: | Eickhoff, P, Martino, F, Costa, A. | Deposit date: | 2019-04-08 | Release date: | 2019-09-11 | Last modified: | 2019-09-18 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome. Cell Rep, 28, 2019
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6RAY
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![BU of 6ray by Molmil](/molmil-images/mine/6ray) | D. melanogaster CMG-DNA, State 2A | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | Authors: | Eickhoff, P, Martino, F, Costa, A. | Deposit date: | 2019-04-08 | Release date: | 2019-09-11 | Last modified: | 2019-09-18 | Method: | ELECTRON MICROSCOPY (4.28 Å) | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome. Cell Rep, 28, 2019
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3HRI
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6SDJ
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![BU of 6sdj by Molmil](/molmil-images/mine/6sdj) | Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | Descriptor: | (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6SAC
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![BU of 6sac by Molmil](/molmil-images/mine/6sac) | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-16 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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5B8A
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![BU of 5b8a by Molmil](/molmil-images/mine/5b8a) | Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN | Descriptor: | Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION | Authors: | Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. | Deposit date: | 2016-06-14 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins. Sci Rep, 6, 2016
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6SS9
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![BU of 6ss9 by Molmil](/molmil-images/mine/6ss9) | Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
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6FEK
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5BNA
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![BU of 5bna by Molmil](/molmil-images/mine/5bna) | THE PRIMARY MODE OF BINDING OF CISPLATIN TO A B-DNA DODECAMER: C-G-C-G-A-A-T-T-C-G-C-G | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM TRIAMINE ION | Authors: | Wing, R.M, Pjura, P, Drew, H.R, Dickerson, R.E. | Deposit date: | 1983-08-22 | Release date: | 1983-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The primary mode of binding of cisplatin to a B-DNA dodecamer: C-G-C-G-A-A-T-T-C-G-C-G EMBO J., 3, 1984
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6W44
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![BU of 6w44 by Molmil](/molmil-images/mine/6w44) | Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4 | Descriptor: | 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Ferguson, A.D. | Deposit date: | 2020-03-10 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening. J.Med.Chem., 64, 2021
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6W4C
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![BU of 6w4c by Molmil](/molmil-images/mine/6w4c) | Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5 | Descriptor: | 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Ferguson, A.D. | Deposit date: | 2020-03-10 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening. J.Med.Chem., 64, 2021
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6FLD
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![BU of 6fld by Molmil](/molmil-images/mine/6fld) | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-01-25 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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5B8B
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![BU of 5b8b by Molmil](/molmil-images/mine/5b8b) | Crystal structure of reduced chimeric E.coli AhpC1-186-YFSKHN | Descriptor: | Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, SULFATE ION | Authors: | Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. | Deposit date: | 2016-06-14 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins. Sci Rep, 6, 2016
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6FQN
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![BU of 6fqn by Molmil](/molmil-images/mine/6fqn) | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-02-14 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.30002666 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6WUP
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6WY1
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![BU of 6wy1 by Molmil](/molmil-images/mine/6wy1) | Crystal structure of an engineered thermostable dengue virus 2 envelope protein dimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue 2 soluble recombinant envelope | Authors: | Kudlacek, S.T, Lakshmanane, P, Kuhlman, B. | Deposit date: | 2020-05-12 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Designed, highly expressing, thermostable dengue virus 2 envelope protein dimers elicit quaternary epitope antibodies. Sci Adv, 7, 2021
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6QT0
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7D6J
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![BU of 7d6j by Molmil](/molmil-images/mine/7d6j) | Human serum albumin complexed with benzbromarone | Descriptor: | Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | Authors: | Kawai, A, Yamasaki, K. | Deposit date: | 2020-09-30 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions. Mol Pharm., 18, 2021
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6XRJ
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6SS8
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![BU of 6ss8 by Molmil](/molmil-images/mine/6ss8) | Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
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