4JSG
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![BU of 4jsg by Molmil](/molmil-images/mine/4jsg) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(3-aminopropoxy)phenoxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-03-22 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
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7LRY
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![BU of 7lry by Molmil](/molmil-images/mine/7lry) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | Descriptor: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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4GDA
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![BU of 4gda by Molmil](/molmil-images/mine/4gda) | Circular Permuted Streptavidin A50/N49 | Descriptor: | BIOTIN, ETHANOL, GLYCEROL, ... | Authors: | Le Trong, I, Chu, V, Xing, Y, Lybrand, T.P, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2012-07-31 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin. Acta Crystallogr.,Sect.D, 69, 2013
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4G35
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![BU of 4g35 by Molmil](/molmil-images/mine/4g35) | Mcl-1 in complex with a biphenyl cross-linked Noxa peptide. | Descriptor: | 4,4'-bis(bromomethyl)biphenyl, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa BH3 peptide (cysteine-mediated cross-linked) | Authors: | Drake, E, Edwardraja, S, Lin, Q, Gulick, A.M. | Deposit date: | 2012-07-13 | Release date: | 2012-12-05 | Last modified: | 2013-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational design of proteolytically stable, cell-permeable peptide-based selective Mcl-1 inhibitors. J.Am.Chem.Soc., 134, 2012
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4G44
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![BU of 4g44 by Molmil](/molmil-images/mine/4g44) | Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline | Descriptor: | 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4MQC
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![BU of 4mqc by Molmil](/molmil-images/mine/4mqc) | |
4N1G
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![BU of 4n1g by Molmil](/molmil-images/mine/4n1g) | Crystal Structure of Ca(2+)- discharged F88Y obelin mutant from Obelia longissima at 1.50 Angstrom resolution | Descriptor: | CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin | Authors: | Natashin, P.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J. | Deposit date: | 2013-10-04 | Release date: | 2014-02-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of the F88Y obelin mutant before and after bioluminescence provide molecular insight into spectral tuning among hydromedusan photoproteins Febs J., 281, 2014
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3GQY
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![BU of 3gqy by Molmil](/molmil-images/mine/3gqy) | Activator-Bound Structure of Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine, L(+)-TARTARIC ACID, ... | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2 to be published
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3GTE
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![BU of 3gte by Molmil](/molmil-images/mine/3gte) | Crystal Structure of Dicamba Monooxygenase with Non-heme Iron | Descriptor: | ACETATE ION, DdmC, FE (III) ION, ... | Authors: | Rydel, T.J, Sturman, E.J, Moshiri, F, Brown, G.R, Qi, Y. | Deposit date: | 2009-03-27 | Release date: | 2009-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation. J.Mol.Biol., 392, 2009
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4MKT
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![BU of 4mkt by Molmil](/molmil-images/mine/4mkt) | Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue and 4-(4-benzylphenyl)thiazol-2-amine | Descriptor: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, 4-(4-benzylphenyl)-1,3-thiazol-2-amine, ACETIC ACID, ... | Authors: | Stsiapanava, A, Rinaldo-Matthis, A, Haeggstrom, J.Z. | Deposit date: | 2013-09-05 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.618 Å) | Cite: | Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. Proc.Natl.Acad.Sci.USA, 111, 2014
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3K7M
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![BU of 3k7m by Molmil](/molmil-images/mine/3k7m) | Crystal structure of 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2009-10-13 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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4GM0
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![BU of 4gm0 by Molmil](/molmil-images/mine/4gm0) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403N | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-15 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
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4MQH
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3KAD
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![BU of 3kad by Molmil](/molmil-images/mine/3kad) | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Descriptor: | 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | Deposit date: | 2009-10-19 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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4MQR
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![BU of 4mqr by Molmil](/molmil-images/mine/4mqr) | Mycobaterium tuberculosis transaminase BioA complexed with E)-5-hydroxy-4-(((Z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4-dihydropyridin-3-yl)methyl phosphate | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2013-09-16 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides. Chembiochem, 15, 2014
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4MRR
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![BU of 4mrr by Molmil](/molmil-images/mine/4mrr) | Structure of a bacterial Atm1-family ABC transporter | Descriptor: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION, ... | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | Deposit date: | 2013-09-17 | Release date: | 2014-03-19 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter. Science, 343, 2014
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4FVW
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![BU of 4fvw by Molmil](/molmil-images/mine/4fvw) | Structure of rat nNOS heme domain in complex with N(omega)-methoxy-L-arginine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2012-06-29 | Release date: | 2013-05-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction Biochemistry, 52, 2013
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3JBK
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![BU of 3jbk by Molmil](/molmil-images/mine/3jbk) | Cryo-EM reconstruction of the metavinculin-actin interface | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kim, L.Y, Thompson, P.M, Lee, H.T, Pershad, M, Campbell, S.L, Alushin, G.M. | Deposit date: | 2015-09-03 | Release date: | 2015-11-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | The Structural Basis of Actin Organization by Vinculin and Metavinculin. J.Mol.Biol., 428, 2016
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3J46
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![BU of 3j46 by Molmil](/molmil-images/mine/3j46) | Structure of the SecY protein translocation channel in action | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L23P, ... | Authors: | Akey, C.W, Park, E, Menetret, J.F, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A. | Deposit date: | 2013-06-18 | Release date: | 2013-10-23 | Last modified: | 2019-07-03 | Method: | ELECTRON MICROSCOPY (10.1 Å) | Cite: | Structure of the SecY channel during initiation of protein translocation. Nature, 506, 2013
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3J5L
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![BU of 3j5l by Molmil](/molmil-images/mine/3j5l) | Structure of the E. coli 50S subunit with ErmBL nascent chain | Descriptor: | 23S ribsomal RNA, 5'-R(*CP*(MA6))-3', 5'-R(*CP*CP*A)-3', ... | Authors: | Arenz, S, Ramu, H, Gupta, P, Berninghausen, O, Beckmann, R, Vazquez-Laslop, N, Mankin, A.S, Wilson, D.N. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Molecular basis for erythromycin-dependent ribosome stalling during translation of the ErmBL leader peptide. Nat Commun, 5, 2014
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3J9V
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![BU of 3j9v by Molmil](/molmil-images/mine/3j9v) | Yeast V-ATPase state 3 | Descriptor: | V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | Authors: | Zhao, J, Benlekbir, S, Rubinstein, J.L. | Deposit date: | 2015-02-23 | Release date: | 2015-05-13 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | Electron cryomicroscopy observation of rotational states in a eukaryotic V-ATPase. Nature, 521, 2015
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4IJM
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![BU of 4ijm by Molmil](/molmil-images/mine/4ijm) | Crystal structure of circadian clock protein KaiC A422V mutant | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | Authors: | Egli, M, Pattanayek, R. | Deposit date: | 2012-12-21 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Loop-Loop Interactions Regulate KaiA-Stimulated KaiC Phosphorylation in the Cyanobacterial KaiABC Circadian Clock. Biochemistry, 52, 2013
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3JCF
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![BU of 3jcf by Molmil](/molmil-images/mine/3jcf) | |
3JCJ
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![BU of 3jcj by Molmil](/molmil-images/mine/3jcj) | Structures of ribosome-bound initiation factor 2 reveal the mechanism of subunit association | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Sprink, T, Ramrath, D.J.F, Yamamoto, H, Yamamoto, K, Loerke, J, Ismer, J, Hildebrand, P.W, Scheerer, P, Buerger, J, Mielke, T, Spahn, C.M.T. | Deposit date: | 2015-12-18 | Release date: | 2016-03-09 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of ribosome-bound initiation factor 2 reveal the mechanism of subunit association. Sci Adv, 2, 2016
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4IN6
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![BU of 4in6 by Molmil](/molmil-images/mine/4in6) | (M)L214A mutant of the Rhodobacter sphaeroides Reaction Center | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Saer, R.G, Hardjasa, A, Murphy, M.E.P, Beatty, J.T. | Deposit date: | 2013-01-04 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Role of Rhodobacter sphaeroides Photosynthetic Reaction Center Residue M214 in the Composition, Absorbance Properties, and Conformations of HA and BA Cofactors. Biochemistry, 52, 2013
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