3ZBO
 
 | | A new family of proteins related to the HEAT-like repeat DNA glycosylases with affinity for branched DNA structures | | 分子名称: | ALKF, CHLORIDE ION | | 著者 | Backe, P.H, Simm, R, Laerdahl, J.K, Dalhus, B, Fagerlund, A, Okstad, O.A, Rognes, T, Alseth, I, Kolsto, A.-B, Bjoras, M. | | 登録日 | 2012-11-12 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | A New Family of Proteins Related to the Heat-Like Repeat DNA Glycosylases with Affinity for Branched DNA Structures.
J.Struct.Biol., 183, 2013
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5KVP
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2QK8
 | | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase | | 分子名称: | Dihydrofolate reductase, METHOTREXATE | | 著者 | Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G. | | 登録日 | 2007-07-10 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase.
J.Med.Chem., 50, 2007
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1NMS
 | | Caspase-3 tethered to irreversible inhibitor | | 分子名称: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | | 著者 | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | | 登録日 | 2003-01-10 | | 公開日 | 2003-03-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1NMQ
 | | Extendend Tethering: In Situ Assembly of Inhibitors | | 分子名称: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | | 著者 | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | | 登録日 | 2003-01-10 | | 公開日 | 2003-03-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1NWL
 | | Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic | | 分子名称: | 3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID, MAGNESIUM ION, protein-tyrosine phosphatase, ... | | 著者 | Erlanson, D.A, McDowell, R.S, He, M.M, Randal, M, Simmons, R.L, Kung, J, Waight, A, Hansen, S. | | 登録日 | 2003-02-06 | | 公開日 | 2003-04-01 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering
J.Am.Chem.Soc., 125, 2003
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1NWE
 | | Ptp1B R47C Modified at C47 with N-[4-(2-{2-[3-(2-Bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid | | 分子名称: | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | 著者 | Erlanson, D.A, McDowell, R.S, He, M.M, Randal, M, Simmons, R.L, Kung, J, Waight, A, Hansen, S.K. | | 登録日 | 2003-02-06 | | 公開日 | 2003-05-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering
J.Am.Chem.Soc., 125, 2003
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4MF3
 | | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | | 分子名称: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1 | | 著者 | Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L. | | 登録日 | 2013-08-27 | | 公開日 | 2014-05-07 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.
Bioorg.Med.Chem.Lett., 23, 2013
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3PWY
 | | Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2 | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide | | 著者 | Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J. | | 登録日 | 2010-12-09 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
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1MUI
 | | Crystal structure of HIV-1 protease complexed with Lopinavir. | | 分子名称: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | | 著者 | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | | 登録日 | 2002-09-23 | | 公開日 | 2002-10-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease
BIOORG.MED.CHEM., 10, 2002
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5BS0
 | | MAGE-A3 Reactive TCR in complex with Titin Epitope in HLA-A1 | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | 著者 | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, Lomax, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | 登録日 | 2015-06-01 | | 公開日 | 2016-03-02 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
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5BRZ
 | | MAGE-A3 reactive TCR in complex with MAGE-A3 in HLA-A1 | | 分子名称: | Beta-2-microglobulin, GLU-VAL-ASP-PRO-ILE-GLY-HIS-LEU-TYR, HLA class I histocompatibility antigen, ... | | 著者 | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donnellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, LomaX, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | 登録日 | 2015-06-01 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
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7MP7
 | | Rules for designing protein fold switches and their implications for the folding code | | 分子名称: | Sb3 | | 著者 | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | | 登録日 | 2021-05-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
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7MN1
 | | Rules for designing protein fold switches and their implications for the folding code | | 分子名称: | Sa1 | | 著者 | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
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7MQ4
 | | Rules for designing protein fold switches and their implications for the folding code | | 分子名称: | Sb1 | | 著者 | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | | 登録日 | 2021-05-05 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
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7MN2
 | | Rules for designing protein fold switches and their implications for the folding code | | 分子名称: | Sb2 | | 著者 | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
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2JIX
 | | Crystal structure of ABT-007 FAB fragment with the soluble domain of EPO receptor | | 分子名称: | ABT-007 FAB FRAGMENT, ERYTHROPOIETIN RECEPTOR | | 著者 | Liu, Z, Stoll, V.S, DeVries, P, Jakob, C.G, Xie, N, Simmer, R.L, Lacy, S.E, Egan, D.A, Harlan, J.E, Lesniewski, R.R, Reilly, E.B. | | 登録日 | 2007-07-02 | | 公開日 | 2007-07-10 | | 最終更新日 | 2020-03-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | A Potent Erythropoietin-Mimicking Human Antibody Interacts Through a Novel Binding Site.
Blood, 110, 2007
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2LS0
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