1YBX
 
 | | Conserved hypothetical protein Cth-383 from Clostridium thermocellum | | 分子名称: | Conserved hypothetical protein, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Chang, J, Zhao, M, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-21 | | 公開日 | 2005-02-01 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Conserved hypothetical protein Cth-383 from Clostridium thermocellum
To be published
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1Y80
 | | Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica | | 分子名称: | CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE, Predicted cobalamin binding protein, UNKNOWN ATOM OR ION | | 著者 | Liu, Z.-J, Fu, Z.-Q, Tempel, W, Das, A, Habel, J, Zhou, W, Chang, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Ljungdahl, L, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-10 | | 公開日 | 2005-01-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica
To be published
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1Y6J
 | | L-Lactate Dehydrogenase from Clostridium Thermocellum Cth-1135 | | 分子名称: | L-lactate dehydrogenase | | 著者 | Chen, L, Yang, H, Kataeva, I, Chen, L.R, Tempel, W, Lee, D, Habel, J, Zhou, W, Lin, D, Ljungdahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-12-06 | | 公開日 | 2004-12-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | L-Lactate Dehydrogenase from Clostridium Thermocellum Cth-1135
To be Published
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8FQT
 | | Apo ADC-219 beta-lactamase | | 分子名称: | Beta-lactamase, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQM
 | | ADC-7 in complex with boronic acid transition state inhibitor MB076 | | 分子名称: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQO
 | | ADC-33 in complex with boronic acid transition state inhibitor MB076 | | 分子名称: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQN
 | | apo ADC-33 beta-lactamase | | 分子名称: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.256 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQP
 | | apo ADC-162 beta-lactamase | | 分子名称: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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1R6G
 | | Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound | | 分子名称: | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 | | 著者 | Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. | | 登録日 | 2003-10-15 | | 公開日 | 2005-02-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta.
Bioorg.Med.Chem.Lett., 14, 2004
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6ED7
 | | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 | | 分子名称: | 2-[(2-nitrophenyl)sulfanyl]acetohydrazide, 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Brown, C.M, Zlitni, S, Chan, J, Brown, E.D, Junop, M.S. | | 登録日 | 2018-08-08 | | 公開日 | 2019-08-21 | | 最終更新日 | 2020-01-08 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772
To Be Published
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3R5L
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase | | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | 登録日 | 2011-03-18 | | 公開日 | 2012-01-18 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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3R5R
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | | 分子名称: | COENZYME F420, Deazaflavin-dependent nitroreductase | | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | 登録日 | 2011-03-19 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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1S7S
 | | Crystal structures of the murine class I major histocompatibility complex H-2Kb in complex with LCMV-derived gp33 index peptide and three of its escape variants | | 分子名称: | Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ... | | 著者 | Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A. | | 登録日 | 2004-01-30 | | 公開日 | 2004-05-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
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5KUI
 | | Human mitochondrial calcium uniporter (residues 72-189) crystal structure with calcium. | | 分子名称: | Calcium uniporter protein, mitochondrial | | 著者 | Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B. | | 登録日 | 2016-07-13 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
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1S7R
 | | Crystal structures of the murine class I major histocompatibility complex H-2Kb in complex with LCMV-derived gp33 index peptide and three of its escape variants | | 分子名称: | Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ... | | 著者 | Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A. | | 登録日 | 2004-01-30 | | 公開日 | 2004-05-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
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1S7Q
 | | Crystal structures of the murine class I major histocompatibility complex H-2Kb in complex with LCMV-derived gp33 index peptide and three of its escape variants | | 分子名称: | Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ... | | 著者 | Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A. | | 登録日 | 2004-01-30 | | 公開日 | 2004-05-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
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2BVR
 | | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | | 分子名称: | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE, ALPHA THROMBIN, HIRUDIN VARIANT-2 | | 著者 | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | | 登録日 | 2005-07-04 | | 公開日 | 2006-10-25 | | 最終更新日 | 2016-12-21 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening
Lett.Drug Des.Discovery, 2, 2005
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1S7X
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 index peptide and three of its escape variants | | 分子名称: | Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ... | | 著者 | Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A. | | 登録日 | 2004-01-30 | | 公開日 | 2004-05-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
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2BVS
 | | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | | 分子名称: | ALPHA THROMBIN, HIRUDIN VARIANT-2, N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | | 著者 | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | | 登録日 | 2005-07-04 | | 公開日 | 2006-10-25 | | 最終更新日 | 2016-12-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening
Lett.Drug Des.Discovery, 2, 2005
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6BD0
 | | I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (25-MER), Ribosomal protein 3/homing endonuclease-like protein fusion | | 著者 | Brown, C, Zhang, K, Laforet, M, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex)
To Be Published
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1S7V
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 index peptide and three of its escape variants | | 分子名称: | Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ... | | 著者 | Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A. | | 登録日 | 2004-01-30 | | 公開日 | 2004-05-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
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8FQW
 | | ADC-30 in complex with boronic acid transition state inhibitor MB076 | | 分子名称: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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6CKF
 | | Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2 | | 分子名称: | OspTx2a-p2 | | 著者 | Sunanda, P, Krishnarjuna, B, Norton, R.S. | | 登録日 | 2018-02-28 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Identification, chemical synthesis, structure, and function of a new KV1 channel blocking peptide from Oulactis sp.
Peptide Science, 110, 2018
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8FQR
 | | Apo ADC-212 beta-lactamase | | 分子名称: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Beardsley, T.J. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQV
 | | apo ADC-30 beta-lactamase | | 分子名称: | Beta-lactamase, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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