6HQW
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5I3O
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![BU of 5i3o by Molmil](/molmil-images/mine/5i3o) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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6HR4
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7LQK
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![BU of 7lqk by Molmil](/molmil-images/mine/7lqk) | Crystal structure of the R375A mutant of LeuT | Descriptor: | ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | Authors: | Font, J, Aguilar, J, Galli, A, Ryan, R. | Deposit date: | 2021-02-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia. Elife, 10, 2021
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6I0B
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![BU of 6i0b by Molmil](/molmil-images/mine/6i0b) | Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F. | Deposit date: | 2018-10-25 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.384 Å) | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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5UNR
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![BU of 5unr by Molmil](/molmil-images/mine/5unr) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | Descriptor: | 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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6HSA
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6CPF
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![BU of 6cpf by Molmil](/molmil-images/mine/6cpf) | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation | Descriptor: | Aurora kinase A, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Otten, R, Zorba, A, Padua, R.A.P, Kern, D. | Deposit date: | 2018-03-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
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7LQL
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![BU of 7lql by Molmil](/molmil-images/mine/7lql) | Crystal structure of the R375D mutant of LeuT | Descriptor: | ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | Authors: | Font, J, Aguilar, J, Galli, A, Ryan, R. | Deposit date: | 2021-02-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia. Elife, 10, 2021
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7LQJ
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![BU of 7lqj by Molmil](/molmil-images/mine/7lqj) | Crystal structure of LeuT bound to L-Alanine | Descriptor: | ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | Authors: | Font, J, Aguilar, J, Galli, A, Ryan, R. | Deposit date: | 2021-02-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.144 Å) | Cite: | Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia. Elife, 10, 2021
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5UO5
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![BU of 5uo5 by Molmil](/molmil-images/mine/5uo5) | Structure of human neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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6HSN
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![BU of 6hsn by Molmil](/molmil-images/mine/6hsn) | Crystal structure of the ternary complex of GephE-ADP-GABA(A) receptor derived peptide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), ACETATE ION, ... | Authors: | Kasaragod, V.B, Schindelin, H. | Deposit date: | 2018-10-01 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. Neuron, 101, 2019
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5UKH
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![BU of 5ukh by Molmil](/molmil-images/mine/5ukh) | Structure of TelC from Streptococcus intermedius B196 | Descriptor: | CALCIUM ION, Uncharacterized protein | Authors: | Whitney, J.C, Ching, M.Q, Bryant, D, Mougous, J.D. | Deposit date: | 2017-01-22 | Release date: | 2017-07-26 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A broadly distributed toxin family mediates contact-dependent antagonism between gram-positive bacteria. Elife, 6, 2017
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6HTA
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![BU of 6hta by Molmil](/molmil-images/mine/6hta) | Crystal structure of glutathione transferase Xi 3 mutant C56S from Trametes versicolor | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Glutathione transferase Xi 3 C56S | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2018-10-03 | Release date: | 2018-10-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Trametes versicolor glutathione transferase Xi 3, a dual Cys-GST with catalytic specificities of both Xi and Omega classes. FEBS Lett., 592, 2018
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7LYJ
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![BU of 7lyj by Molmil](/molmil-images/mine/7lyj) | SARS-CoV-2 frameshifting pseudoknot RNA | Descriptor: | IRIDIUM HEXAMMINE ION, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Jones, C.P, Ferre-D'Amare, A.R. | Deposit date: | 2021-03-07 | Release date: | 2021-05-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) frameshifting pseudoknot. Rna, 28, 2022
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5I7H
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![BU of 5i7h by Molmil](/molmil-images/mine/5i7h) | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 6 [3-(3-(4-Bromophenyl)ureido)benzoic acid] | Descriptor: | 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid, CHLORIDE ION, O-phosphoserine sulfhydrylase, ... | Authors: | Schnell, R, Maric, S, Schneider, G. | Deposit date: | 2016-02-17 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
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5UQ2
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5UN1
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![BU of 5un1 by Molmil](/molmil-images/mine/5un1) | Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor | Descriptor: | (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Song, X, Gouaux, E. | Deposit date: | 2017-01-30 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Mechanism of NMDA receptor channel block by MK-801 and memantine. Nature, 556, 2018
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7LW6
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![BU of 7lw6 by Molmil](/molmil-images/mine/7lw6) | The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with Raltegravir | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ... | Authors: | Cuypers, M.G, Slavish, P.J, White, S.W, Rankovik, Z. | Deposit date: | 2021-02-27 | Release date: | 2021-05-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6CYR
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5USS
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5UU4
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7LJL
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![BU of 7ljl by Molmil](/molmil-images/mine/7ljl) | Structure of the Enterobacter cloacae CD-NTase CdnD in complex with ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase, ... | Authors: | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.W, Kranzusch, P.J. | Deposit date: | 2021-01-29 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense. Cell Rep, 35, 2021
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6K3Q
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![BU of 6k3q by Molmil](/molmil-images/mine/6k3q) | Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine | Descriptor: | (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Shoji, O, Yonemura, K. | Deposit date: | 2019-05-21 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3 Acs Catalysis, 10, 2020
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7LJM
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![BU of 7ljm by Molmil](/molmil-images/mine/7ljm) | Structure of the Salmonella enterica CD-NTase CdnD in complex with GTP | Descriptor: | CD-NTase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.W, Kranzusch, P.J. | Deposit date: | 2021-01-29 | Release date: | 2021-06-02 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense. Cell Rep, 35, 2021
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