3DA6
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![BU of 3da6 by Molmil](/molmil-images/mine/3da6) | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | Deposit date: | 2008-05-28 | Release date: | 2009-01-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase Bioorg.Med.Chem.Lett., 19, 2009
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8BHO
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![BU of 8bho by Molmil](/molmil-images/mine/8bho) | GABA-A receptor a5 homomer - a5V3 - L655708 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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6UHX
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![BU of 6uhx by Molmil](/molmil-images/mine/6uhx) | Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized oxidoreductase YIR035C | Authors: | Stogios, P.J, Skarina, T, Chen, C, Kagan, O, Iakounine, A, Savchenko, A. | Deposit date: | 2019-09-29 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae To Be Published
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8BHQ
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![BU of 8bhq by Molmil](/molmil-images/mine/8bhq) | GABA-A receptor a5 homomer - a5V3 - RO7172670 | Descriptor: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5 | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Kasaragod, V.B. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHS
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![BU of 8bhs by Molmil](/molmil-images/mine/8bhs) | GABA-A receptor a5 homomer - a5V3 - RO4938581 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene, Gamma-aminobutyric acid receptor subunit alpha-5 | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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1SD5
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![BU of 1sd5 by Molmil](/molmil-images/mine/1sd5) | Crystal structure of Rv1626 | Descriptor: | IODIDE ION, putative antiterminator | Authors: | Morth, J.P, Feng, V, Perry, L.J, Svergun, D.I, Tucker, P.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-02-13 | Release date: | 2004-09-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | The Crystal and Solution Structure of a Putative Transcriptional Antiterminator from Mycobacterium tuberculosis. Structure, 12, 2004
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8BHA
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![BU of 8bha by Molmil](/molmil-images/mine/8bha) | GABA-A receptor a5 homomer - a5V3 - Basmisanil - HR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Basmisanil, Gamma-aminobutyric acid receptor subunit alpha-5 | Authors: | Malinauskas, T.M, Wahid, A.A, Hardwick, S.W, Chirgadze, D.Y, Miller, P.S. | Deposit date: | 2022-10-30 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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5OOH
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![BU of 5ooh by Molmil](/molmil-images/mine/5ooh) | |
8BHR
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![BU of 8bhr by Molmil](/molmil-images/mine/8bhr) | GABA-A receptor a5 homomer - a5V3 - RO7015738 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide, Gamma-aminobutyric acid receptor subunit alpha-5 | Authors: | Miller, P.S, Malinauskas, T.M, Kasaragod, V.B. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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4OD8
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![BU of 4od8 by Molmil](/molmil-images/mine/4od8) | Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit D4 in complex with the A20 N-terminus | Descriptor: | DNA polymerase processivity factor component A20, GLYCEROL, SULFATE ION, ... | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Iseni, F. | Deposit date: | 2014-01-10 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit d4 in complex with the a20 N-terminal domain. Plos Pathog., 10, 2014
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2BKK
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![BU of 2bkk by Molmil](/molmil-images/mine/2bkk) | Crystal structure of Aminoglycoside Phosphotransferase APH(3')-IIIa in complex with the inhibitor AR_3a | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE, DESIGNED ANKYRIN REPEAT INHIBITOR AR_3A, ... | Authors: | Kohl, A, Amstutz, P, Parizek, P, Binz, H.K, Briand, C, Capitani, G, Forrer, P, Pluckthun, A, Grutter, M.G. | Deposit date: | 2005-02-16 | Release date: | 2005-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Allosteric Inhibition of Aminoglycoside Phosphotransferase by a Designed Ankyrin Repeat Protein Structure, 13, 2005
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2HZ4
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![BU of 2hz4 by Molmil](/molmil-images/mine/2hz4) | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | Deposit date: | 2006-08-08 | Release date: | 2007-01-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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4OEN
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![BU of 4oen by Molmil](/molmil-images/mine/4oen) | Crystal structure of the second substrate binding domain of a putative amino acid ABC transporter from Streptococcus pneumoniae Canada MDR_19A | Descriptor: | ACETATE ION, CHLORIDE ION, SULFATE ION, ... | Authors: | Stogios, P.J, Wawrzak, Z, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-01-13 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the second substrate binding domain of a putative amino acid ABC transporter from Streptococcus pneumoniae Canada MDR_19A To be Published
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5DN3
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![BU of 5dn3 by Molmil](/molmil-images/mine/5dn3) | Aurora A in complex with ATP and AA35. | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | Deposit date: | 2015-09-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 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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8SDW
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![BU of 8sdw by Molmil](/molmil-images/mine/8sdw) | Crystal structure of the non-myristoylated mutant [L8K]Arf1 in complex with a GDP analogue | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Rosenberg Jr, E.M, Randazzo, P.A, Esser, L, Xia, D. | Deposit date: | 2023-04-07 | Release date: | 2023-06-28 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity. Plos One, 19, 2024
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6IJB
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![BU of 6ijb by Molmil](/molmil-images/mine/6ijb) | Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(methylsulfanyl)propanoic acid, ADENOSINE MONOPHOSPHATE, ... | Authors: | Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2018-10-09 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.111 Å) | Cite: | Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria. Mol.Microbiol., 111, 2019
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4BNH
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![BU of 4bnh by Molmil](/molmil-images/mine/4bnh) | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-phenoxyphenol | Descriptor: | 5-hexyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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4FYM
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![BU of 4fym by Molmil](/molmil-images/mine/4fym) | |
6LD9
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![BU of 6ld9 by Molmil](/molmil-images/mine/6ld9) | |
8BQ7
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![BU of 8bq7 by Molmil](/molmil-images/mine/8bq7) | |
4BNL
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![BU of 4bnl by Molmil](/molmil-images/mine/4bnl) | Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-(2-propenyl)phenol | Descriptor: | 2-PHENOXY-5-(2-PROPENYL)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.F. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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8BP6
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![BU of 8bp6 by Molmil](/molmil-images/mine/8bp6) | Structure of MHC-class I related molecule MR1 with bound M3Ade | Descriptor: | (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde, Beta-2-microglobulin,Major histocompatibility complex class I-related gene protein | Authors: | Berloffa, G, Jakob, R.P, Maier, T. | Deposit date: | 2022-11-16 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The carbonyl nucleoside adduct M3Ade stabilizes MR1 and activates MR1-restricted self- and tumor-reactive T cells To Be Published
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2BYE
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![BU of 2bye by Molmil](/molmil-images/mine/2bye) | NMR solution structure of phospholipase c epsilon RA 1 domain | Descriptor: | PHOSPHOLIPASE C, EPSILON 1 | Authors: | Bunney, T.D, Harris, R, Gandarillas, N.L, Josephs, M.B, Roe, S.M, Paterson, H.F, Rodrigues-Lima, F, Esposito, D, Gieschik, P, Pearl, L.H, Driscoll, P.C, Katan, M. | Deposit date: | 2005-08-01 | Release date: | 2006-02-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural and Mechanistic Insights Into Ras Association Domains of Phospholipase C Epsilon. Mol.Cell, 21, 2006
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2BYF
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![BU of 2byf by Molmil](/molmil-images/mine/2byf) | NMR solution structure of phospholipase c epsilon RA 2 domain | Descriptor: | PHOSPHOLIPASE C, EPSILON 1 | Authors: | Bunney, T.D, Harris, R, Gandarillas, N.L, Josephs, M.B, Roe, S.M, Paterson, H.F, Rodrigues-Lima, F, Esposito, D, Gieschik, P, Pearl, L.H, Driscoll, P.C, Katan, M. | Deposit date: | 2005-08-01 | Release date: | 2006-02-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural and Mechanistic Insights Into Ras Association Domains of Phospholipase C Epsilon. Mol.Cell, 21, 2006
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3GTV
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![BU of 3gtv by Molmil](/molmil-images/mine/3gtv) | Human-mouse SOD1 chimera | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | Deposit date: | 2009-03-28 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras. Arch.Biochem.Biophys., 503, 2010
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