5ZXK
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![BU of 5zxk by Molmil](/molmil-images/mine/5zxk) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1 | Authors: | Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-05-21 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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4GFV
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![BU of 4gfv by Molmil](/molmil-images/mine/4gfv) | PTPN18 in complex with HER2-pY1196 phosphor-peptides | Descriptor: | HER2-pY1196 phosphor-peptide, Tyrosine-protein phosphatase non-receptor type 18 | Authors: | Wang, H.M, Yang, F, Du, Y.J, Yang, D.X, Zhang, Y, Yu, X, Sun, J.P. | Deposit date: | 2012-08-04 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | PTPN18-HER2 peptides To be Published
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4EAG
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![BU of 4eag by Molmil](/molmil-images/mine/4eag) | Co-crystal structure of an chimeric AMPK core with ATP | Descriptor: | 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
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4EHQ
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![BU of 4ehq by Molmil](/molmil-images/mine/4ehq) | Crystal Structure of Calmodulin Binding Domain of Orai1 in Complex with Ca2+/Calmodulin Displays a Unique Binding Mode | Descriptor: | CALCIUM ION, Calcium release-activated calcium channel protein 1, Calmodulin, ... | Authors: | Liu, Y, Zheng, X, Mueller, G.A, Sobhany, M, DeRose, E.F, Zhang, Y, London, R.E, Birnbaumer, L. | Deposit date: | 2012-04-03 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9005 Å) | Cite: | Crystal structure of calmodulin binding domain of orai1 in complex with ca2+*calmodulin displays a unique binding mode. J.Biol.Chem., 287, 2012
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4KYS
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![BU of 4kys by Molmil](/molmil-images/mine/4kys) | Clostridium botulinum thiaminase I in complex with thiamin | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, CITRIC ACID, MAGNESIUM ION, ... | Authors: | Sikowitz, M.D, Shome, B, Zhang, Y, Begley, T.P, Ealick, S.E. | Deposit date: | 2013-05-29 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure of a Clostridium botulinum C143S Thiaminase I/Thiamin Complex Reveals Active Site Architecture. Biochemistry, 52, 2013
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6M23
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![BU of 6m23 by Molmil](/molmil-images/mine/6m23) | Overall structure of KCC2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q. | Deposit date: | 2020-02-26 | Release date: | 2020-11-04 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters. Cell Res., 31, 2021
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6M1Y
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![BU of 6m1y by Molmil](/molmil-images/mine/6m1y) | The overall structure of KCC3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q. | Deposit date: | 2020-02-26 | Release date: | 2020-11-04 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters. Cell Res., 31, 2021
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6M22
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![BU of 6m22 by Molmil](/molmil-images/mine/6m22) | KCC3 bound with DIOA | Descriptor: | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q. | Deposit date: | 2020-02-26 | Release date: | 2020-11-04 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters. Cell Res., 31, 2021
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4EAL
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![BU of 4eal by Molmil](/molmil-images/mine/4eal) | Co-crystal of AMPK core with ATP soaked with AMP | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
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4ESX
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![BU of 4esx by Molmil](/molmil-images/mine/4esx) | Crystal structure of C. albicans Thi5 complexed with PLP | Descriptor: | Pyrimidine biosynthesis enzyme THI13 | Authors: | Huang, S, Fenwick, M.K, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2012-04-23 | Release date: | 2012-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate. J.Am.Chem.Soc., 134, 2012
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4OHR
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![BU of 4ohr by Molmil](/molmil-images/mine/4ohr) | Crystal structure of MilB from Streptomyces rimofaciens | Descriptor: | CMP/hydroxymethyl CMP hydrolase | Authors: | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | Deposit date: | 2014-01-17 | Release date: | 2014-06-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry Nucleic Acids Res., 42, 2014
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2WVS
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![BU of 2wvs by Molmil](/molmil-images/mine/2wvs) | Crystal structure of an alpha-L-fucosidase GH29 trapped covalent intermediate from Bacteroides thetaiotaomicron in complex with 2- fluoro-fucosyl fluoride using an E288Q mutant | Descriptor: | 2-deoxy-2-fluoro-beta-L-fucopyranose, ALPHA-L-FUCOSIDASE, SULFATE ION | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach J.Am.Chem.Soc., 132, 2010
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8DO5
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![BU of 8do5 by Molmil](/molmil-images/mine/8do5) | Crystal structure of NahE in complex with intermediate (R)-4-hydroxy-4-(2-hydroxyphenyl)-2-iminobutanoate | Descriptor: | (4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid, DIMETHYL SULFOXIDE, Trans-ohydrobenzylidenepyruvate hydratase aldolase | Authors: | LeVieux, J.A, Hardtke, H.A, Zhang, Y.J. | Deposit date: | 2022-07-12 | Release date: | 2022-12-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A mutagenic analysis of NahE, a hydratase-aldolase in the naphthalene degradative pathway. Arch.Biochem.Biophys., 733, 2023
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4OHB
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![BU of 4ohb by Molmil](/molmil-images/mine/4ohb) | Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens | Descriptor: | 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP/hydroxymethyl CMP hydrolase | Authors: | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | Deposit date: | 2014-01-17 | Release date: | 2014-06-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry Nucleic Acids Res., 42, 2014
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2WVU
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![BU of 2wvu by Molmil](/molmil-images/mine/2wvu) | Crystal structure of a Michaelis complex of alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron with the synthetic substrate 4- nitrophenyl-alpha-L-fucose | Descriptor: | 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, ALPHA-L-FUCOSIDASE, SULFATE ION | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach J.Am.Chem.Soc., 132, 2010
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6AKS
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![BU of 6aks by Molmil](/molmil-images/mine/6aks) | Cryo-EM structure of CVA10 mature virus | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X. | Deposit date: | 2018-09-03 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating. Nat Commun, 9, 2018
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6AKT
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![BU of 6akt by Molmil](/molmil-images/mine/6akt) | Cryo-EM structure of CVA10 A-particle | Descriptor: | VP1, VP2, VP3 | Authors: | Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X. | Deposit date: | 2018-09-03 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating. Nat Commun, 9, 2018
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6AKU
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![BU of 6aku by Molmil](/molmil-images/mine/6aku) | Cryo-EM structure of CVA10 empty particle | Descriptor: | VP1, VP2, VP3 | Authors: | Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X. | Deposit date: | 2018-09-03 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating. Nat Commun, 9, 2018
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7JJO
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![BU of 7jjo by Molmil](/molmil-images/mine/7jjo) | Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound Beta1-Adrenergic Receptor | Descriptor: | Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Su, M, Zhu, L, Zhang, Y, Paknejad, N, Dey, R, Huang, J, Lee, M.Y, Williams, D, Jordan, K.D, Eng, E.T, Ernst, O.P, Meyerson, J.R, Hite, R.K, Walz, T, Liu, W, Huang, X.Y. | Deposit date: | 2020-07-27 | Release date: | 2020-09-02 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound beta 1 -Adrenergic Receptor. Mol.Cell, 80, 2020
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4D00
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![BU of 4d00 by Molmil](/molmil-images/mine/4d00) | Haemagglutinin of H10N8 Influenza Virus Isolated from Humans in Complex with Human Receptor Analogue 6'SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, ... | Authors: | Xiong, X, Haire, L.F, Vachieri, S.G, Collins, P.J, Walker, P.A, Martin, S.R, Zhang, Y, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-04-23 | Release date: | 2014-06-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Receptor Binding by H10 Influenza Viruses. Nature, 511, 2014
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4ESW
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![BU of 4esw by Molmil](/molmil-images/mine/4esw) | Crystal structure of C. albicans Thi5 H66G mutant | Descriptor: | CITRIC ACID, Pyrimidine biosynthesis enzyme THI13 | Authors: | Fenwick, M.K, Huang, S, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2012-04-23 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate. J.Am.Chem.Soc., 134, 2012
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2WVT
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![BU of 2wvt by Molmil](/molmil-images/mine/2wvt) | Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron in complex with a novel iminosugar fucosidase inhibitor | Descriptor: | (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM, ALPHA-L-FUCOSIDASE, GLYCEROL, ... | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach. J.Am.Chem.Soc., 132, 2010
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3QH6
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![BU of 3qh6 by Molmil](/molmil-images/mine/3qh6) | 1.8A resolution structure of CT296 from Chlamydia trachomatis | Descriptor: | CT296, TETRAETHYLENE GLYCOL | Authors: | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | Deposit date: | 2011-01-25 | Release date: | 2011-10-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes. J.Bacteriol., 193, 2011
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2WVV
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![BU of 2wvv by Molmil](/molmil-images/mine/2wvv) | Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, GLYCEROL, ... | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach J.Am.Chem.Soc., 132, 2010
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6ITA
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![BU of 6ita by Molmil](/molmil-images/mine/6ita) | Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | Descriptor: | Butyrophilin subfamily 3 member A1 | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-11-20 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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