5AKD
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![BU of 5akd by Molmil](/molmil-images/mine/5akd) | MutS in complex with the N-terminal domain of MutL - crystal form 3 | 分子名称: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | 登録日 | 2015-03-03 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (7.6 Å) | 主引用文献 | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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6V24
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6V2G
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7AVY
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![BU of 7avy by Molmil](/molmil-images/mine/7avy) | MerTK kinase domain in complex with quinazoline-based inhbitor | 分子名称: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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6EY0
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![BU of 6ey0 by Molmil](/molmil-images/mine/6ey0) | N-terminal part (residues 30-212) of PorM with the llama nanobody nb01 | 分子名称: | T9SS component cytoplasmic membrane protein PorM, llama nanobody nb01 | 著者 | Leone, P, Roche, J, Cambillau, C, Roussel, A. | 登録日 | 2017-11-10 | 公開日 | 2018-02-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space. Nat Commun, 9, 2018
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1XB7
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![BU of 1xb7 by Molmil](/molmil-images/mine/1xb7) | X-ray structure of ERRalpha LBD in complex with a PGC-1alpha peptide at 2.5A resolution | 分子名称: | IODIDE ION, Peroxisome proliferator activated receptor gamma coactivator 1 alpha, Steroid hormone receptor ERR1 | 著者 | Kallen, J, Schlaeppi, J.M, Bitsch, F, Filipuzzi, I, Schilb, A, Riou, V, Graham, A, Strauss, A, Geiser, M, Fournier, B. | 登録日 | 2004-08-30 | 公開日 | 2004-09-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Evidence for Ligand-independent Transcriptional Activation of the Human Estrogen-related Receptor {alpha} (ERR{alpha}): CRYSTAL STRUCTURE OF ERR{alpha} LIGAND BINDING DOMAIN IN COMPLEX WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR COACTIVATOR-1{alpha} J.Biol.Chem., 279, 2004
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7AVX
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![BU of 7avx by Molmil](/molmil-images/mine/7avx) | MerTK kinase domain in complex with NPS-1034 | 分子名称: | 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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6V2A
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7AW2
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![BU of 7aw2 by Molmil](/molmil-images/mine/7aw2) | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | 分子名称: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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1IBH
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![BU of 1ibh by Molmil](/molmil-images/mine/1ibh) | X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT M41I | 分子名称: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | 著者 | Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A. | 登録日 | 2001-03-28 | 公開日 | 2001-05-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase. J.Mol.Biol., 308, 2001
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7AW4
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![BU of 7aw4 by Molmil](/molmil-images/mine/7aw4) | MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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1IBB
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![BU of 1ibb by Molmil](/molmil-images/mine/1ibb) | X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT W83F | 分子名称: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | 著者 | Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A. | 登録日 | 2001-03-28 | 公開日 | 2001-05-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase. J.Mol.Biol., 308, 2001
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6YNJ
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![BU of 6ynj by Molmil](/molmil-images/mine/6ynj) | Crystal structure of YTHDC1 with compound DHU_DC1_046 | 分子名称: | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-13 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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1IBF
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![BU of 1ibf by Molmil](/molmil-images/mine/1ibf) | X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT V29G | 分子名称: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | 著者 | Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A. | 登録日 | 2001-03-28 | 公開日 | 2001-05-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase. J.Mol.Biol., 308, 2001
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6YNM
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![BU of 6ynm by Molmil](/molmil-images/mine/6ynm) | Crystal structure of YTHDC1 with compound DHU_DC1_096 | 分子名称: | 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-14 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7ZIH
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![BU of 7zih by Molmil](/molmil-images/mine/7zih) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128 | 分子名称: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | 著者 | Schuetz, A, Gogolin, A, Pfeifer, J, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | 登録日 | 2022-04-08 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.46890831 Å) | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7AW1
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![BU of 7aw1 by Molmil](/molmil-images/mine/7aw1) | MerTK kinase domain in complex with a type 2 inhibitor | 分子名称: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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4HVQ
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![BU of 4hvq by Molmil](/molmil-images/mine/4hvq) | X-ray crystal structure of FECU reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | 著者 | Liu, F, Chen, L, Liu, A. | 登録日 | 2012-11-06 | 公開日 | 2013-11-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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7AVZ
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![BU of 7avz by Molmil](/molmil-images/mine/7avz) | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | 分子名称: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW3
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![BU of 7aw3 by Molmil](/molmil-images/mine/7aw3) | MerTK kinase domain with type 1 inhibitor from a DNA-encoded library | 分子名称: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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4HSJ
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![BU of 4hsj by Molmil](/molmil-images/mine/4hsj) | 1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase | 分子名称: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID | 著者 | Liu, F, Chen, L, Davis, C.I, Liu, A. | 登録日 | 2012-10-30 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.883 Å) | 主引用文献 | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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6YD9
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![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | 分子名称: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | 著者 | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | 登録日 | 2020-03-20 | 公開日 | 2020-12-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
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5A5F
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![BU of 5a5f by Molmil](/molmil-images/mine/5a5f) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MALONATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ... | 著者 | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | 登録日 | 2015-06-17 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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5A5E
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![BU of 5a5e by Molmil](/molmil-images/mine/5a5e) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, SULFATE ION, ... | 著者 | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | 登録日 | 2015-06-17 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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6VBM
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![BU of 6vbm by Molmil](/molmil-images/mine/6vbm) | Crystal structure of a S310A mutant of PBP2 from Neisseria gonorrhoeae | 分子名称: | PHOSPHATE ION, Probable peptidoglycan D,D-transpeptidase PenA | 著者 | Singh, A, Davies, C. | 登録日 | 2019-12-19 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics J.Biol.Chem., 2020
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