3TTL
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![BU of 3ttl by Molmil](/molmil-images/mine/3ttl) | Crystal structure of apo-SpuE | Descriptor: | Polyamine transport protein | Authors: | Wu, D.H, Lim, S.C, Song, H.W. | Deposit date: | 2011-09-14 | Release date: | 2012-03-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Substrate Binding Specificity Revealed by the Crystal Structures of Polyamine Receptors SpuD and SpuE from Pseudomonas aeruginosa J.Mol.Biol., 416, 2012
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6D8P
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![BU of 6d8p by Molmil](/molmil-images/mine/6d8p) | Ternary RsAgo Complex Containing Guide RNA Paired with Target DNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | Deposit date: | 2018-04-26 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA. Cell Rep, 24, 2018
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1HZF
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![BU of 1hzf by Molmil](/molmil-images/mine/1hzf) | C4ADG FRAGMENT OF HUMAN COMPLEMENT FACTOR C4A | Descriptor: | COMPLEMENT FACTOR C4A | Authors: | van den Elsen, J.M.H, Martin, A, Wong, V, Clemenza, L, Rose, D.R, Isenman, D.E. | Deposit date: | 2001-01-24 | Release date: | 2002-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystal structure of the C4d fragment of human complement component C4. J.Mol.Biol., 322, 2002
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5DT0
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![BU of 5dt0 by Molmil](/molmil-images/mine/5dt0) | Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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4O4P
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![BU of 4o4p by Molmil](/molmil-images/mine/4o4p) | Structure of P450 BM3 A82F F87V in complex with S-omeprazol | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D. | Deposit date: | 2013-12-19 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3. Biochem.J., 460, 2014
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2XHU
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![BU of 2xhu by Molmil](/molmil-images/mine/2xhu) | HCV-J4 NS5B Polymerase Orthorhombic Crystal Form | Descriptor: | RNA-directed RNA polymerase, SULFATE ION | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-21 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.287 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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3TVW
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![BU of 3tvw by Molmil](/molmil-images/mine/3tvw) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 4 | Descriptor: | Acetyl-CoA carboxylase, [4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-20 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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2XJK
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![BU of 2xjk by Molmil](/molmil-images/mine/2xjk) | Monomeric Human Cu,Zn Superoxide dismutase | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | Authors: | Saraboji, K, Leinartaite, L, Nordlund, A, Oliveberg, M, Logan, D.T. | Deposit date: | 2010-07-07 | Release date: | 2010-09-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Folding Catalysis by Transient Coordination of Zn2+ to the Cu Ligands of the Als-Associated Enzyme Cu/Zn Superoxide Dismutase 1. J.Am.Chem.Soc., 132, 2010
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2FOD
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![BU of 2fod by Molmil](/molmil-images/mine/2fod) | Structure of porcine pancreatic elastase in 80% ethanol | Descriptor: | CALCIUM ION, ETHANOL, SULFATE ION, ... | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | Deposit date: | 2006-01-13 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
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8BF8
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![BU of 8bf8 by Molmil](/molmil-images/mine/8bf8) | ISDra2 TnpB in complex with reRNA | Descriptor: | Deinococcus radiodurans R1 chromosome 1, RNA-guided DNA endonuclease TnpB | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Siksnys, V, Montoya, G, Druteika, G, Silanskas, A, Venclovas, C, Karvelis, T, Kazlauskas, D. | Deposit date: | 2022-10-24 | Release date: | 2023-04-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family. Nature, 616, 2023
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7RKI
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![BU of 7rki by Molmil](/molmil-images/mine/7rki) | Griffithsin-S10Y/S42Y/S88Y | Descriptor: | Griffithsin, alpha-D-mannopyranose | Authors: | Sun, J.D, Zhao, G.X. | Deposit date: | 2021-07-22 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity. Acs Chem.Biol., 17, 2022
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2XI3
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![BU of 2xi3 by Molmil](/molmil-images/mine/2xi3) | HCV-H77 NS5B Polymerase Complexed With GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA-directed RNA polymerase | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-25 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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6DKV
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![BU of 6dkv by Molmil](/molmil-images/mine/6dkv) | |
5E0Q
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![BU of 5e0q by Molmil](/molmil-images/mine/5e0q) | |
3TSJ
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![BU of 3tsj by Molmil](/molmil-images/mine/3tsj) | Crystal structure of Phl p 4, a grass pollen allergen with glucose dehydrogenase activity | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pollen allergen Phl p 4, SODIUM ION, ... | Authors: | Zafred, D, Nandy, A, Keller, W. | Deposit date: | 2011-09-13 | Release date: | 2012-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and immunologic characterization of the major grass pollen allergen Phl p 4. J. Allergy Clin. Immunol., 132, 2013
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2XI2
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![BU of 2xi2 by Molmil](/molmil-images/mine/2xi2) | HCV-H77 NS5B Apo Polymerase | Descriptor: | RNA-directed RNA polymerase, SULFATE ION | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-25 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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2XM9
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![BU of 2xm9 by Molmil](/molmil-images/mine/2xm9) | Structure of a small molecule inhibitor with the kinase domain of Chk2 | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-07-26 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
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7ROR
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![BU of 7ror by Molmil](/molmil-images/mine/7ror) | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP | Descriptor: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-08-02 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
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1I12
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![BU of 1i12 by Molmil](/molmil-images/mine/1i12) | |
8GDW
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![BU of 8gdw by Molmil](/molmil-images/mine/8gdw) | |
2FOE
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![BU of 2foe by Molmil](/molmil-images/mine/2foe) | Structure of porcine pancreatic elastase in 80% hexane | Descriptor: | (2S)-HEX-5-ENE-1,2-DIOL, CALCIUM ION, SULFATE ION, ... | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | Deposit date: | 2006-01-13 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
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3TVJ
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![BU of 3tvj by Molmil](/molmil-images/mine/3tvj) | Catalytic fragment of MASP-2 in complex with its specific inhibitor developed by directed evolution on SGCI scaffold | Descriptor: | Mannan-binding lectin serine protease 2 A chain, Mannan-binding lectin serine protease 2 B chain, Protease inhibitor SGPI-2, ... | Authors: | Heja, D, Harmat, V, Dobo, J, Szasz, R, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G. | Deposit date: | 2011-09-20 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2. J.Biol.Chem., 287, 2012
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2XHV
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![BU of 2xhv by Molmil](/molmil-images/mine/2xhv) | HCV-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase, SULFATE ION | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-21 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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3KVZ
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![BU of 3kvz by Molmil](/molmil-images/mine/3kvz) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thiesterase FlK - wild type FlK in complex with FAcCPan | Descriptor: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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7RKE
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![BU of 7rke by Molmil](/molmil-images/mine/7rke) | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide | Descriptor: | 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | Deposit date: | 2021-07-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core. Acs Med.Chem.Lett., 13, 2022
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