6ETQ
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6ETO
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![BU of 6eto by Molmil](/molmil-images/mine/6eto) | Atomic resolution structure of RNase A (data collection 5) | Descriptor: | ISOPROPYL ALCOHOL, Ribonuclease pancreatic | Authors: | Caterino, M, Vergara, A, Merlino, A. | Deposit date: | 2017-10-27 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC. Chembiochem, 2018
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6ETN
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8JY6
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![BU of 8jy6 by Molmil](/molmil-images/mine/8jy6) | Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol | Descriptor: | Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol | Authors: | Chen, W, Wang, C. | Deposit date: | 2023-07-03 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural insights into drug transport by an aquaglyceroporin. Nat Commun, 15, 2024
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8JY8
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5YWF
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![BU of 5ywf by Molmil](/molmil-images/mine/5ywf) | Crystal structure of 2H4 Fab | Descriptor: | 2H4 heavy chain, 2H4 light chain | Authors: | Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
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1LNL
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![BU of 1lnl by Molmil](/molmil-images/mine/1lnl) | Structure of deoxygenated hemocyanin from Rapana thomasiana | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, hemocyanin | Authors: | Perbandt, M, Guthoehrlein, E.W, Rypniewski, W, Idakieva, K, Stoeva, S, Voelter, W, Genov, N, Betzel, C. | Deposit date: | 2002-05-03 | Release date: | 2003-06-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The structure of a functional unit from the wall of a gastropod hemocyanin offers a possible mechanism for cooperativity Biochemistry, 42, 2003
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5R0K
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![BU of 5r0k by Molmil](/molmil-images/mine/5r0k) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G12, DMSO-free | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-12 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5ZDP
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![BU of 5zdp by Molmil](/molmil-images/mine/5zdp) | Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ferulenol | Descriptor: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, Alternative oxidase, mitochondrial, ... | Authors: | Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K. | Deposit date: | 2018-02-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase. Biochim Biophys Acta Bioenerg, 1860, 2019
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5ZDR
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![BU of 5zdr by Molmil](/molmil-images/mine/5zdr) | Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative | Descriptor: | 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ... | Authors: | Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K. | Deposit date: | 2018-02-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase. Biochim Biophys Acta Bioenerg, 1860, 2019
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2D1Q
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![BU of 2d1q by Molmil](/molmil-images/mine/2d1q) | Crystal structure of the thermostable Japanese Firefly Luciferase complexed with MgATP | Descriptor: | ADENOSINE MONOPHOSPHATE, Luciferin 4-monooxygenase | Authors: | Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-08-31 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
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2D1R
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![BU of 2d1r by Molmil](/molmil-images/mine/2d1r) | Crystal structure of the thermostable Japanese firefly Luciferase complexed with OXYLUCIFERIN and AMP | Descriptor: | 2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE, ADENOSINE MONOPHOSPHATE, Luciferin 4-monooxygenase | Authors: | Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-08-31 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
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2D1S
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![BU of 2d1s by Molmil](/molmil-images/mine/2d1s) | Crystal structure of the thermostable Japanese Firefly Luciferase complexed with High-energy intermediate analogue | Descriptor: | 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, CHLORIDE ION, Luciferin 4-monooxygenase | Authors: | Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-08-31 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
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5R1Z
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![BU of 5r1z by Molmil](/molmil-images/mine/5r1z) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry D11, DMSO-free | Descriptor: | 3-(1,3-thiazol-2-yl)propanoic acid, Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.067 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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3IG7
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![BU of 3ig7 by Molmil](/molmil-images/mine/3ig7) | Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2 | Descriptor: | Cell division protein kinase 2, N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide | Authors: | Pandit, J. | Deposit date: | 2009-07-27 | Release date: | 2009-09-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg.Med.Chem.Lett., 19, 2009
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3IGG
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![BU of 3igg by Molmil](/molmil-images/mine/3igg) | Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2 | Descriptor: | Cell division protein kinase 2, N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide | Authors: | Pandit, J. | Deposit date: | 2009-07-27 | Release date: | 2009-09-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg.Med.Chem.Lett., 19, 2009
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3IMO
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![BU of 3imo by Molmil](/molmil-images/mine/3imo) | Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS14 | Descriptor: | ACETATE ION, Integron cassette protein | Authors: | Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | Deposit date: | 2009-08-11 | Release date: | 2009-08-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites Plos One, 8, 2013
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3JUE
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![BU of 3jue by Molmil](/molmil-images/mine/3jue) | Crystal Structure of ArfGAP and ANK repeat domain of ACAP1 | Descriptor: | ARFGAP with coiled-coil, ANK repeat and PH domain-containing protein 1, SULFATE ION, ... | Authors: | Pang, X, Zhang, K, Ma, J, Zhou, Q, Sun, F. | Deposit date: | 2009-09-15 | Release date: | 2010-09-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic insights into regulated cargo binding by ACAP1 protein J.Biol.Chem., 287, 2012
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7JUJ
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![BU of 7juj by Molmil](/molmil-images/mine/7juj) | Cruzain bound to Gallinamide inhibitor | Descriptor: | Cruzipain, POTASSIUM ION, gallinamide A, ... | Authors: | Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M. | Deposit date: | 2020-08-19 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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7FR2
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7FR3
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7FRC
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7FRD
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3HQZ
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![BU of 3hqz by Molmil](/molmil-images/mine/3hqz) | Discovery of novel inhibitors of PDE10A | Descriptor: | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2009-06-08 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3HQW
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![BU of 3hqw by Molmil](/molmil-images/mine/3hqw) | Discovery of novel inhibitors of PDE10A | Descriptor: | 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2009-06-08 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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