6GT0
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![BU of 6gt0 by Molmil](/molmil-images/mine/6gt0) | Nitrite-bound copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | Authors: | Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2018-06-15 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography. Iucrj, 6, 2019
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6GSQ
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![BU of 6gsq by Molmil](/molmil-images/mine/6gsq) | Oxidised copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | Authors: | Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2018-06-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography. Iucrj, 6, 2019
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6GT2
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![BU of 6gt2 by Molmil](/molmil-images/mine/6gt2) | Reduced copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | Authors: | Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2018-06-15 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography. Iucrj, 6, 2019
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6IJ1
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![BU of 6ij1 by Molmil](/molmil-images/mine/6ij1) | Crystal structure of a protein from Actinoplanes | Descriptor: | ACETATE ION, IMIDAZOLE, Prenylcyclase | Authors: | Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-10-08 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Crystal structure of TchmY from Actinoplanes teichomyceticus. Acta Crystallogr.,Sect.F, 75, 2019
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7M1M
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![BU of 7m1m by Molmil](/molmil-images/mine/7m1m) | Crystal structure of Pseudomonas aeruginosa ClpP1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | Authors: | Mawla, G.D, Grant, R.A, Baker, T.A, Sauer, R.T. | Deposit date: | 2021-03-13 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | ClpP1P2 peptidase activity promotes biofilm formation in Pseudomonas aeruginosa. Mol.Microbiol., 115, 2021
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7M1L
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![BU of 7m1l by Molmil](/molmil-images/mine/7m1l) | Crystal structure of Pseudomonas aeruginosa ClpP2 | Descriptor: | ATP-dependent Clp protease proteolytic subunit, PHOSPHATE ION | Authors: | Hall, B.M, Grant, R.A, Baker, T.A, Sauer, R.T. | Deposit date: | 2021-03-13 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ClpP1P2 peptidase activity promotes biofilm formation in Pseudomonas aeruginosa. Mol.Microbiol., 115, 2021
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7MPK
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![BU of 7mpk by Molmil](/molmil-images/mine/7mpk) | Crystal structure of TagA with UDP-GlcNAc | Descriptor: | N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Martinez, O.E, Cascio, D, Clubb, R.T. | Deposit date: | 2021-05-04 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.993 Å) | Cite: | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
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7N41
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![BU of 7n41 by Molmil](/molmil-images/mine/7n41) | Crystal structure of TagA with UDP-ManNAc | Descriptor: | (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase | Authors: | Martinez, O.E, Cascio, D, Clubb, R.T. | Deposit date: | 2021-06-03 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
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8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/8s99) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S9A
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![BU of 8s9a by Molmil](/molmil-images/mine/8s9a) | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | Descriptor: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S98
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![BU of 8s98 by Molmil](/molmil-images/mine/8s98) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8SMU
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![BU of 8smu by Molmil](/molmil-images/mine/8smu) | Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP | Descriptor: | CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ... | Authors: | Mahoney, B.J, Cascio, D, Clubb, R.T. | Deposit date: | 2023-04-26 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. J.Inorg.Biochem., 249, 2023
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8SQX
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![BU of 8sqx by Molmil](/molmil-images/mine/8sqx) | |
8U9O
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![BU of 8u9o by Molmil](/molmil-images/mine/8u9o) | |
7CWQ
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![BU of 7cwq by Molmil](/molmil-images/mine/7cwq) | Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36 | Descriptor: | DLH domain-containing protein, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-08-30 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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7CQB
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![BU of 7cqb by Molmil](/molmil-images/mine/7cqb) | |
7CY0
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![BU of 7cy0 by Molmil](/molmil-images/mine/7cy0) | Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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6PVX
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![BU of 6pvx by Molmil](/molmil-images/mine/6pvx) | RNase A in complex with p5U | Descriptor: | 5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic | Authors: | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | Deposit date: | 2019-07-21 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A. J.Am.Chem.Soc., 141, 2019
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6PXL
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![BU of 6pxl by Molmil](/molmil-images/mine/6pxl) | 3.74 Angstroms resolution structure of HlsU with an axial-channel plug | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, MAGNESIUM ION, ... | Authors: | Baytshtok, V, Grant, R.A, Sauer, R.T. | Deposit date: | 2019-07-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.741 Å) | Cite: | Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug. Cell Rep, 34, 2021
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6PXK
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![BU of 6pxk by Molmil](/molmil-images/mine/6pxk) | 3.65 Angstroms resolution structure of HslU with an axial-channel plug | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, SULFATE ION, ... | Authors: | Baytshtok, V, Grant, R.A, Sauer, R.T. | Deposit date: | 2019-07-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.647 Å) | Cite: | Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug. Cell Rep, 34, 2021
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6QPX
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![BU of 6qpx by Molmil](/molmil-images/mine/6qpx) | Crystal structure of nitrite bound Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-15 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QQ2
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![BU of 6qq2 by Molmil](/molmil-images/mine/6qq2) | Crystal structure of nitrite bound Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-16 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QQ1
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![BU of 6qq1 by Molmil](/molmil-images/mine/6qq1) | Crystal structure of as isolated Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-16 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QQ0
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![BU of 6qq0 by Molmil](/molmil-images/mine/6qq0) | Crystal structure of nitrite bound Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-16 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QPZ
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![BU of 6qpz by Molmil](/molmil-images/mine/6qpz) | Crystal structure of as isolated Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-16 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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