6XID
| PCSK9(deltaCRD) in complex with cyclic peptide 51 | 分子名称: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | 著者 | Orth, P. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
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5A0A
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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8C3J
| Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22 | 分子名称: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid, Breast cancer type 2 susceptibility protein, DNA repair and recombination protein RadA | 著者 | Pantelejevs, T, Hyvonen, M. | 登録日 | 2022-12-26 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase. Chem Sci, 14, 2023
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5AGA
| Crystal structure of the Helicase domain of human DNA polymerase theta in complex with AMPPNP | 分子名称: | CITRATE ANION, DNA POLYMERASE THETA, MAGNESIUM ION, ... | 著者 | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2015-01-29 | 公開日 | 2015-02-25 | 最終更新日 | 2015-12-16 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway. Structure, 23, 2015
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4PBU
| Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | 著者 | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | 登録日 | 2014-04-13 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (5 Å) | 主引用文献 | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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8CCX
| Human SOD1 in complex with S-XL6 cross-linker | 分子名称: | COPPER (II) ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | 著者 | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | 登録日 | 2023-01-27 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS. Plos Biol., 22, 2024
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6E2M
| ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.253 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2N
| ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2O
| ASK1 kinase domain complex with inhibitor | 分子名称: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.389 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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5A0C
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A09
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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8COH
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8COE
| complement C5 in complex with the LCP0195 nanobody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ... | 著者 | Andersen, G.R, Pedersen, D.V. | 登録日 | 2023-02-28 | 公開日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | 主引用文献 | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
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4PYJ
| human apo-COMT, single domain swap | 分子名称: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PYO
| Humanized rat COMT bound to SAH, semi-holo form | 分子名称: | Catechol O-methyltransferase, MAGNESIUM ION, POTASSIUM ION, ... | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PYQ
| Humanized rat apo-COMT in complex with a ureido-benzamidine | 分子名称: | 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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5IWL
| CD47-diabody complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ... | 著者 | Di, W, Jude, K.M, Garcia, K.C. | 登録日 | 2016-03-22 | 公開日 | 2016-06-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer. J.Clin.Invest., 126, 2016
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2H9B
| Crystal structure of the effector binding domain of a BenM variant (BenM R156H/T157S) | 分子名称: | CHLORIDE ION, HTH-type transcriptional regulator benM, SULFATE ION | 著者 | Ezezika, O.C, Craven, S.H, Neidle, E.L, Momany, C. | 登録日 | 2006-06-09 | 公開日 | 2007-06-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Inducer responses of BenM, a LysR-type transcriptional regulator from Acinetobacter baylyi ADP1. Mol.Microbiol., 72, 2009
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7P4U
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1ZUA
| Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat | 分子名称: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT | 著者 | Gallego, O, Ruiz, F.X, Ardevol, A, Dominguez, M, Alvarez, R, de Lera, A.R, Rovira, C, Farres, J, Fita, I, Pares, X. | 登録日 | 2005-05-30 | 公開日 | 2006-11-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10. Proc.Natl.Acad.Sci.USA, 104, 2007
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5L18
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5L17
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2JHO
| Cyanomet Sperm Whale Myoglobin at 1.4A resolution | 分子名称: | CYANIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Arcovito, A, Benfatto, M, Cianci, M, Hasnain, S.S, Nienhaus, K, Nienhaus, G.U, Savino, C, Strange, R.W, Vallone, B, Della Longa, S. | 登録日 | 2007-02-23 | 公開日 | 2007-04-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy. Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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6MF2
| Improved Model of Human Coagulation Factor VIII | 分子名称: | CALCIUM ION, COPPER (I) ION, Coagulation factor VIII, ... | 著者 | Smith, I.W, Spiegel, P.C. | 登録日 | 2018-09-08 | 公開日 | 2019-09-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.609364 Å) | 主引用文献 | The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020
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6MF0
| Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ... | 著者 | Smith, I.W, Spiegel, P.C. | 登録日 | 2018-09-07 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.19999886 Å) | 主引用文献 | The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020
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