6JY4
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![BU of 6jy4 by Molmil](/molmil-images/mine/6jy4) | Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Reduced State | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ... | Authors: | Shinzawa-Itoh, K, Muramoto, K. | Deposit date: | 2019-04-26 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Monomeric structure of an active form of bovine cytochromecoxidase. Proc.Natl.Acad.Sci.USA, 116, 2019
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2JAI
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![BU of 2jai by Molmil](/molmil-images/mine/2jai) | DDAH1 complexed with citrulline | Descriptor: | CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | Authors: | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | Deposit date: | 2006-11-29 | Release date: | 2007-02-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Disruption of methylarginine metabolism impairs vascular homeostasis. Nat. Med., 13, 2007
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2XQF
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![BU of 2xqf by Molmil](/molmil-images/mine/2xqf) | X-ray Structure of human butyrylcholinesterase inhibited by racemic VX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | Deposit date: | 2010-09-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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2F61
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![BU of 2f61 by Molmil](/molmil-images/mine/2f61) | Crystal structure of partially deglycosylated acid beta-glucosidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid beta-glucosidase, ... | Authors: | Hegde, R.S, Grabowski, G. | Deposit date: | 2005-11-28 | Release date: | 2005-12-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Analyses of Variant Acid beta-Glucosidases: EFFECTS OF GAUCHER DISEASE MUTATIONS. J.Biol.Chem., 281, 2006
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3ZKB
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![BU of 3zkb by Molmil](/molmil-images/mine/3zkb) | CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP | Descriptor: | DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C. | Deposit date: | 2013-01-22 | Release date: | 2013-09-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion. Biochem.J., 456, 2013
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7W2P
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![BU of 7w2p by Molmil](/molmil-images/mine/7w2p) | Tudor domain of SMN in complex with a small molecule | Descriptor: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine, MAGNESIUM ION, Survival motor neuron protein, ... | Authors: | Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J. | Deposit date: | 2021-11-24 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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3VFH
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6JY3
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![BU of 6jy3 by Molmil](/molmil-images/mine/6jy3) | Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Oxidized State | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ... | Authors: | Shinzawa-Itoh, K, Muramoto, K. | Deposit date: | 2019-04-26 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Monomeric structure of an active form of bovine cytochromecoxidase. Proc.Natl.Acad.Sci.USA, 116, 2019
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4HK1
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![BU of 4hk1 by Molmil](/molmil-images/mine/4hk1) | |
4LQM
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![BU of 4lqm by Molmil](/molmil-images/mine/4lqm) | EGFR L858R in complex with PD168393 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE | Authors: | Yun, C.H, Eck, M.J. | Deposit date: | 2013-07-19 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer. Sci Transl Med, 5, 2013
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3WBD
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![BU of 3wbd by Molmil](/molmil-images/mine/3wbd) | Crystal structure of anti-polysialic acid antibody single chain Fv fragment (mAb735) complexed with octasialic acid | Descriptor: | CITRATE ANION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, single chain Fv fragment of mAb735 | Authors: | Nagae, M, Ikeda, A, Hanashima, S, Kitajima, K, Sato, C, Yamaguchi, Y. | Deposit date: | 2013-05-14 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of anti-polysialic acid antibody single chain Fv fragment complexed with octasialic acid: insight into the binding preference for polysialic acid. J.Biol.Chem., 288, 2013
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4LRM
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![BU of 4lrm by Molmil](/molmil-images/mine/4lrm) | EGFR D770_N771insNPG in complex with PD168393 | Descriptor: | Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide | Authors: | Yun, C.H, Eck, M.J. | Deposit date: | 2013-07-20 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.526 Å) | Cite: | Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer. Sci Transl Med, 5, 2013
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4BVE
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![BU of 4bve by Molmil](/molmil-images/mine/4bve) | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | Authors: | Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-25 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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4BVG
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![BU of 4bvg by Molmil](/molmil-images/mine/4bvg) | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | Descriptor: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, ... | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-25 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism. Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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2M4Q
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![BU of 2m4q by Molmil](/molmil-images/mine/2m4q) | NMR structure of E. coli ribosomela decoding site with apramycin | Descriptor: | APRAMYCIN, RNA (27-MER) | Authors: | Puglisi, J.D, Tsai, A, Marshall, R, Viani, E. | Deposit date: | 2013-02-10 | Release date: | 2013-03-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The impact of aminoglycosides on the dynamics of translation elongation. Cell Rep, 3, 2013
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4BV2
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![BU of 4bv2 by Molmil](/molmil-images/mine/4bv2) | CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, CELLULAR TUMOR ANTIGEN P53, ... | Authors: | Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-24 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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4BV3
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![BU of 4bv3 by Molmil](/molmil-images/mine/4bv3) | CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ... | Authors: | Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-24 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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4BVF
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![BU of 4bvf by Molmil](/molmil-images/mine/4bvf) | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | Descriptor: | 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | Authors: | Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-25 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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7Z2C
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![BU of 7z2c by Molmil](/molmil-images/mine/7z2c) | P. falciparum kinesin-8B motor domain in no nucleotide bound to tubulin dimer | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | Deposit date: | 2022-02-26 | Release date: | 2022-10-19 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission. Nat Commun, 13, 2022
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7Z2A
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![BU of 7z2a by Molmil](/molmil-images/mine/7z2a) | P. berghei kinesin-8B motor domain in no nucleotide state bound to tubulin dimer | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ... | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | Deposit date: | 2022-02-26 | Release date: | 2022-10-19 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission. Nat Commun, 13, 2022
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1GK4
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![BU of 1gk4 by Molmil](/molmil-images/mine/1gk4) | HUMAN VIMENTIN COIL 2B FRAGMENT (CYS2) | Descriptor: | ACETATE ION, VIMENTIN | Authors: | Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P. | Deposit date: | 2001-08-08 | Release date: | 2002-03-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly. Embo J., 21, 2002
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7Z2B
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![BU of 7z2b by Molmil](/molmil-images/mine/7z2b) | P. berghei kinesin-8B motor domain in AMPPNP state bound to tubulin dimer | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ... | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | Deposit date: | 2022-02-26 | Release date: | 2022-11-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission. Nat Commun, 13, 2022
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4GKR
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![BU of 4gkr by Molmil](/molmil-images/mine/4gkr) | |
7WGL
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![BU of 7wgl by Molmil](/molmil-images/mine/7wgl) | X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals obtained by co-crystallization | Descriptor: | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2021-12-28 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci, 23, 2022
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4C67
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![BU of 4c67 by Molmil](/molmil-images/mine/4c67) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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