6V35
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![BU of 6v35 by Molmil](/molmil-images/mine/6v35) | Cryo-EM structure of Ca2+-free hsSlo1-beta4 channel complex | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Tao, X, MacKinnon, R. | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular structures of the human Slo1 K + channel in complex with beta 4. Elife, 8, 2019
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5FYE
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![BU of 5fye by Molmil](/molmil-images/mine/5fye) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-03-07 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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2Y6V
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![BU of 2y6v by Molmil](/molmil-images/mine/2y6v) | |
4MVW
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![BU of 4mvw by Molmil](/molmil-images/mine/4mvw) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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6V22
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![BU of 6v22 by Molmil](/molmil-images/mine/6v22) | Cryo-EM structure of Ca2+-bound hsSlo1-beta4 channel complex | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tao, X, MacKinnon, R. | Deposit date: | 2019-11-22 | Release date: | 2019-12-25 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular structures of the human Slo1 K + channel in complex with beta 4. Elife, 8, 2019
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6V2C
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![BU of 6v2c by Molmil](/molmil-images/mine/6v2c) | |
4N9K
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![BU of 4n9k by Molmil](/molmil-images/mine/4n9k) | crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine | Descriptor: | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase | Authors: | Pan, X, Wong, W, Zhao, Y. | Deposit date: | 2013-10-21 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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5FBN
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![BU of 5fbn by Molmil](/molmil-images/mine/5fbn) | BTK kinase domain with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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4MWC
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![BU of 4mwc by Molmil](/molmil-images/mine/4mwc) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540) | Descriptor: | 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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5FU8
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![BU of 5fu8 by Molmil](/molmil-images/mine/5fu8) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-21 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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4N92
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![BU of 4n92 by Molmil](/molmil-images/mine/4n92) | Crystal structure of beta-lactamse PenP_E166S | Descriptor: | Beta-lactamase | Authors: | Pan, X, Wong, W, Zhao, Y. | Deposit date: | 2013-10-19 | Release date: | 2014-09-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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5EO3
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![BU of 5eo3 by Molmil](/molmil-images/mine/5eo3) | |
3ONM
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![BU of 3onm by Molmil](/molmil-images/mine/3onm) | Effector binding Domain of LysR-Type transcription factor RovM from Y. pseudotuberculosis | Descriptor: | Transcriptional regulator LrhA | Authors: | Quade, N, Diekmann, M, Haffke, M, Heroven, A.K, Dersch, P, Heinz, D.W. | Deposit date: | 2010-08-30 | Release date: | 2011-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the effector-binding domain of the LysR-type transcription factor RovM from Yersinia pseudotuberculosis. Acta Crystallogr.,Sect.D, 67, 2011
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5H08
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![BU of 5h08 by Molmil](/molmil-images/mine/5h08) | Human PTPRZ D1 domain complexed with NAZ2329 | Descriptor: | 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2016-10-04 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells Sci Rep, 7, 2017
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3MEB
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5HBL
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![BU of 5hbl by Molmil](/molmil-images/mine/5hbl) | Native rhodanese domain of YgaP prepared with 1mM DDT is S-nitrosylated | Descriptor: | Inner membrane protein YgaP | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | Deposit date: | 2015-12-31 | Release date: | 2016-08-10 | Last modified: | 2021-09-08 | Method: | X-RAY DIFFRACTION (1.617 Å) | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein. J.Mol.Biol., 428, 2016
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5EEC
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![BU of 5eec by Molmil](/molmil-images/mine/5eec) | |
4LJM
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![BU of 4ljm by Molmil](/molmil-images/mine/4ljm) | |
6OG0
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![BU of 6og0 by Molmil](/molmil-images/mine/6og0) | Structure of Aedes aegypti OBP22 | Descriptor: | AAEL005772-PA, CADMIUM ION, CHLORIDE ION | Authors: | Jones, D.N, Wang, J. | Deposit date: | 2019-04-01 | Release date: | 2019-04-17 | Last modified: | 2020-05-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail. Sci Rep, 10, 2020
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4KYX
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![BU of 4kyx by Molmil](/molmil-images/mine/4kyx) | |
5G1Q
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![BU of 5g1q by Molmil](/molmil-images/mine/5g1q) | |
5UI4
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![BU of 5ui4 by Molmil](/molmil-images/mine/5ui4) | Structure of NME1 covalently conjugated to imidazole fluorosulfate | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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5H94
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![BU of 5h94 by Molmil](/molmil-images/mine/5h94) | Crystal structure of Swine MHC CLASSI for 1.48 angstroms | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Nonapeptide from Influenza A virus HA protein | Authors: | Fan, S, Zhang, N, Wang, S, Wu, Y, Xia, C. | Deposit date: | 2015-12-25 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural and Biochemical Analyses of Swine Major Histocompatibility Complex Class I Complexes and Prediction of the Epitope Map of Important Influenza A Virus Strains J.Virol., 90, 2016
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5FU0
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![BU of 5fu0 by Molmil](/molmil-images/mine/5fu0) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-19 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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4N9L
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![BU of 4n9l by Molmil](/molmil-images/mine/4n9l) | crystal structure of beta-lactamse PenP_E166S in complex with meropenem | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase | Authors: | Pan, X, Wong, W, Zhao, Y. | Deposit date: | 2013-10-21 | Release date: | 2014-09-10 | Last modified: | 2022-02-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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