7LKT
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![BU of 7lkt by Molmil](/molmil-images/mine/7lkt) | 1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k | Descriptor: | (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKR
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![BU of 7lkr by Molmil](/molmil-images/mine/7lkr) | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2a | Descriptor: | (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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6K7N
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![BU of 6k7n by Molmil](/molmil-images/mine/6k7n) | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1P state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2019-06-07 | Release date: | 2019-08-28 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase. Science, 365, 2019
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6TGF
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![BU of 6tgf by Molmil](/molmil-images/mine/6tgf) | Pantoea stewartii WceF is a glycan biofilm modifying enzyme with a bacteriophage tailspike-like parallel beta-helix fold | Descriptor: | 1,2-ETHANEDIOL, Exopolysaccharide biosynthesis protein, TETRAETHYLENE GLYCOL | Authors: | Irmscher, T, Roske, Y, Gayk, I, Heinemann, U, Barbirz, S. | Deposit date: | 2019-11-15 | Release date: | 2020-11-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Pantoea stewartii WceF is a glycan biofilm-modifying enzyme with a bacteriophage tailspike-like fold. J.Biol.Chem., 296, 2021
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5COB
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![BU of 5cob by Molmil](/molmil-images/mine/5cob) | Crystal structure of iridoid synthase in complex with NADP+ and 8-oxogeranial at 2.65-angstrom resolution | Descriptor: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | Deposit date: | 2015-07-20 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity. J.Struct.Biol., 194, 2016
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7BFM
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5YVZ
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![BU of 5yvz by Molmil](/molmil-images/mine/5yvz) | Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with alphaketoglutarate and Fe(III) | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, FE (III) ION, ... | Authors: | Chung, H.S, Pemble, C.W, Joo, S.H, Raetz, C.R. | Deposit date: | 2017-11-28 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Biochemical and Structural Insights into an Fe(II)/ alpha-Ketoglutarate/O2-Dependent Dioxygenase, Kdo 3-Hydroxylase (KdoO). J. Mol. Biol., 430, 2018
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5YVP
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![BU of 5yvp by Molmil](/molmil-images/mine/5yvp) | Crystal structure of an apo form cyclase Filc1 from Fischerella sp. TAU | Descriptor: | CALCIUM ION, TETRAETHYLENE GLYCOL, cyclase A | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-11-27 | Release date: | 2018-11-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5FHF
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![BU of 5fhf by Molmil](/molmil-images/mine/5fhf) | Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | Deposit date: | 2015-12-22 | Release date: | 2016-03-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1 Cell Rep, 14, 2016
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6T5O
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![BU of 6t5o by Molmil](/molmil-images/mine/6t5o) | Bacteroides salyersiae GH164 beta-mannosidase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D(-)-TARTARIC ACID, ... | Authors: | Armstrong, Z, Davies, G. | Deposit date: | 2019-10-16 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164. J.Biol.Chem., 295, 2020
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7F4S
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![BU of 7f4s by Molmil](/molmil-images/mine/7f4s) | Crystal structure of TthMTA1-PteMTA9 complex | Descriptor: | MT-a70 family protein, MTA9 | Authors: | Chen, J, Liu, L. | Deposit date: | 2021-06-21 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structural basis for MTA1c-mediated DNA N6-adenine methylation Nat Commun, 13, 2022
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5CGM
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![BU of 5cgm by Molmil](/molmil-images/mine/5cgm) | Structure of Mycobacterium thermoresistibile GlgE in complex with maltose at 1.95A resolution | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, CHLORIDE ION, ... | Authors: | Mendes, V, Blaszczyk, M, Maranha, A, Empadinhas, N, Blundell, T.L. | Deposit date: | 2015-07-09 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism. Sci Rep, 5, 2015
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5FV0
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![BU of 5fv0 by Molmil](/molmil-images/mine/5fv0) | The cytoplasmic domain of EssC | Descriptor: | 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), ADENOSINE-5'-TRIPHOSPHATE, ESX secretion system protein EccC, ... | Authors: | Zoltner, M, Ng, W.M.A.V, Palmer, T, Hunter, W.N. | Deposit date: | 2016-02-01 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | EssC: domain structures inform on the elusive translocation channel in the Type VII secretion system. Biochem. J., 473, 2016
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7F4T
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6TER
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![BU of 6ter by Molmil](/molmil-images/mine/6ter) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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5FHE
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![BU of 5fhe by Molmil](/molmil-images/mine/5fhe) | Crystal structure of Bacteroides Pif1 bound to ssDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | Deposit date: | 2015-12-22 | Release date: | 2016-03-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1 Cell Rep, 14, 2016
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5FHX
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![BU of 5fhx by Molmil](/molmil-images/mine/5fhx) | CRYSTAL STRUCTURE OF CODV IN COMPLEX WITH IL4 AT 2.55 Ang. RESOLUTION. | Descriptor: | Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ... | Authors: | Vallee, F, Dupuy, A, Rak, A. | Deposit date: | 2015-12-22 | Release date: | 2016-03-30 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications. Mabs, 8, 2016
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6TIV
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![BU of 6tiv by Molmil](/molmil-images/mine/6tiv) | Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ... | Authors: | Rudraraju, R, Schnell, R, Schneider, G. | Deposit date: | 2019-11-22 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase. J.Am.Chem.Soc., 143, 2021
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5ZHE
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![BU of 5zhe by Molmil](/molmil-images/mine/5zhe) | STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981 | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2018-03-13 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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5ZHF
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![BU of 5zhf by Molmil](/molmil-images/mine/5zhf) | Structure of VanYB unbound | Descriptor: | D-alanyl-D-alanine carboxypeptidase, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Kim, H.S, Hahn, H. | Deposit date: | 2018-03-13 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB. Int. J. Biol. Macromol., 119, 2018
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5CBW
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![BU of 5cbw by Molmil](/molmil-images/mine/5cbw) | Human Cyclophilin D Complexed with Inhibitor. | Descriptor: | FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor. To Be Published
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5CA9
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![BU of 5ca9 by Molmil](/molmil-images/mine/5ca9) | |
7BN1
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![BU of 7bn1 by Molmil](/molmil-images/mine/7bn1) | |
5ZKK
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1YON
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![BU of 1yon by Molmil](/molmil-images/mine/1yon) | Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate | Descriptor: | 2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Authors: | Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C. | Deposit date: | 2005-01-28 | Release date: | 2006-04-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study. Acta Crystallogr.,Sect.D, 63, 2007
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