1OAA
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![BU of 1oaa by Molmil](/molmil-images/mine/1oaa) | MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ... | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | Deposit date: | 1997-08-25 | Release date: | 1999-02-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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7PPL
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![BU of 7ppl by Molmil](/molmil-images/mine/7ppl) | SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636) | Descriptor: | ETHANOL, GLYCEROL, Insulin receptor substrate 1, ... | Authors: | Sok, P, Zeke, A, Remenyi, A. | Deposit date: | 2021-09-14 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling. Nat Commun, 13, 2022
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6RPN
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![BU of 6rpn by Molmil](/molmil-images/mine/6rpn) | Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308. | Descriptor: | (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ... | Authors: | Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J. | Deposit date: | 2019-05-14 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.409 Å) | Cite: | Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate. Acs Infect Dis., 6, 2020
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4POW
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![BU of 4pow by Molmil](/molmil-images/mine/4pow) | Structure of the PBP NocT in complex with pyronopaline | Descriptor: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2014-02-26 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
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3QVO
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![BU of 3qvo by Molmil](/molmil-images/mine/3qvo) | Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri. | Descriptor: | 5-MERCAPTO-2-NITRO-BENZOIC ACID, NmrA family protein | Authors: | Cuff, M.E, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-25 | Release date: | 2011-06-01 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri. TO BE PUBLISHED
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5MOB
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![BU of 5mob by Molmil](/molmil-images/mine/5mob) | ABA RECEPTOR FROM TOMATO, SlPYL1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, SULFATE ION, SlPYL1_ABA | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | Deposit date: | 2016-12-14 | Release date: | 2017-08-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.669 Å) | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant, 10, 2017
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7PTF
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![BU of 7ptf by Molmil](/molmil-images/mine/7ptf) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PTG
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![BU of 7ptg by Molmil](/molmil-images/mine/7ptg) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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3A07
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![BU of 3a07 by Molmil](/molmil-images/mine/3a07) | Crystal Structure of Actinohivin; Potent anti-HIV Protein | Descriptor: | Actinohivin, SODIUM ION | Authors: | Tsunoda, M, Suzuki, K, Sagara, T, Takenaka, A. | Deposit date: | 2009-03-04 | Release date: | 2009-08-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Mechanism by which the lectin actinohivin blocks HIV infection of target cells Proc.Natl.Acad.Sci.USA, 106, 2009
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4Q3M
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![BU of 4q3m by Molmil](/molmil-images/mine/4q3m) | Crystal structure of MGS-M4, an aldo-keto reductase enzyme from a Medee basin deep-sea metagenome library | Descriptor: | MGS-M4, SODIUM ION, SULFATE ION | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | Deposit date: | 2014-04-11 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.552 Å) | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats. Environ Microbiol, 17, 2015
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7PQI
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![BU of 7pqi by Molmil](/molmil-images/mine/7pqi) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQM
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![BU of 7pqm by Molmil](/molmil-images/mine/7pqm) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQL
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![BU of 7pql by Molmil](/molmil-images/mine/7pql) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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2NC2
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![BU of 2nc2 by Molmil](/molmil-images/mine/2nc2) | |
3QY3
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![BU of 3qy3 by Molmil](/molmil-images/mine/3qy3) | PA2801 protein, a putative Thioesterase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, Thioesterase | Authors: | Osipiuk, J, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-03-02 | Release date: | 2011-03-16 | Last modified: | 2012-10-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and activity of the Pseudomonas aeruginosa hotdog-fold thioesterases PA5202 and PA2801. Biochem.J., 444, 2012
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3AH4
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![BU of 3ah4 by Molmil](/molmil-images/mine/3ah4) | HA1 subcomponent of botulinum type C progenitor toxin complexed with galactose | Descriptor: | Main hemagglutinin component, beta-D-galactopyranose | Authors: | Nakamura, T, Tonozuka, T, Ide, A, Yuzawa, T, Oguma, K, Nishikawa, A. | Deposit date: | 2010-04-13 | Release date: | 2010-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Sugar-binding sites of the HA1 subcomponent of Clostridium botulinum type C progenitor toxin J.Mol.Biol., 376, 2008
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6XKS
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![BU of 6xks by Molmil](/molmil-images/mine/6xks) | Crystal structure of domain A from the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) of Salmonella typhimurium | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Histidine ABC transporter substrate-binding protein HisJ | Authors: | Romero-Romero, S, Berrocal, T, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2020-06-27 | Release date: | 2021-07-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Thermodynamic and kinetic analysis of the LAO binding protein and its isolated domains reveal non-additivity in stability, folding and function. Febs J., 2023
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4MF3
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![BU of 4mf3 by Molmil](/molmil-images/mine/4mf3) | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | Descriptor: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1 | Authors: | Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy. Bioorg.Med.Chem.Lett., 23, 2013
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5MGC
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![BU of 5mgc by Molmil](/molmil-images/mine/5mgc) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 4-Galactosyl-lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Probable beta-galactosidase A, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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4MAK
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![BU of 4mak by Molmil](/molmil-images/mine/4mak) | Crystal structure of a putative ssRNA endonuclease Cas2, CRISPR adaptation protein from E.coli | Descriptor: | CRISPR-associated endoribonuclease Cas2, DI(HYDROXYETHYL)ETHER | Authors: | Nocek, B, Skarina, T, Brown, G, Yakunin, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-08-16 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of a putative ssRNA endonuclease Cas2, CRISPR adaptation protein from E.coli TO BE PUBLISHED
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8EYH
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![BU of 8eyh by Molmil](/molmil-images/mine/8eyh) | |
8EYG
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8F4P
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8Q9T
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![BU of 8q9t by Molmil](/molmil-images/mine/8q9t) | CryoEM structure of a S. Cerevisiae Ski238 complex bound to RNA | Descriptor: | Antiviral helicase SKI2, Antiviral protein SKI8, RNA (5'-R(P*UP*UP*UP*U)-3'), ... | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | Deposit date: | 2023-08-21 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly. Mol.Cell, 83, 2023
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6Y4U
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![BU of 6y4u by Molmil](/molmil-images/mine/6y4u) | Crystal structure of p38 in complex with SR65 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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