2V00
 
 | | X-ray crystal structure of endothiapepsin complexed with compound 1 | | 分子名称: | 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE, ACETATE ION, ENDOTHIAPEPSIN, ... | | 著者 | Geschwindner, S, Olsson, L.L, Deinum, J, Albert, J.S, Edwards, P.D, De Beer, T, Folmer, R.H.A. | | 登録日 | 2007-05-03 | | 公開日 | 2007-12-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation.
J.Med.Chem., 50, 2007
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3O7N
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3O9A
 | | Crystal Structure of wild-type HIV-1 Protease in complex with kd14 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, PHOSPHATE ION, Pol polyprotein | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2010-08-04 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3O9K
 | | Influenza NA in complex with compound 6 | | 分子名称: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid, Neuraminidase | | 著者 | Russell, R.J, Kerry, P.S. | | 登録日 | 2010-08-04 | | 公開日 | 2010-12-15 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4945 Å) | | 主引用文献 | Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
Nat Commun, 1, 2010
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2VIE
 | | Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide | | 分子名称: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | 著者 | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | 登録日 | 2007-11-30 | | 公開日 | 2008-01-29 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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7X3Y
 | | Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 9A3 (CVB1-E:9A3) | | 分子名称: | 9A3 heavy chain, 9A3 light chain, VP2, ... | | 著者 | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | 登録日 | 2022-03-01 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
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3NU9
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2V0B
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2V1K
 | | Crystal structure of ferrous deoxymyoglobin at pH 6.8 | | 分子名称: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | 登録日 | 2007-05-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
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2V1R
 | | Yeast Pex13 SH3 domain complexed with a peptide from Pex14 at 2.1 A resolution | | 分子名称: | PEROXISOMAL MEMBRANE PROTEIN PAS20, PEX14 | | 著者 | Kursula, I, Kursula, P, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M. | | 登録日 | 2007-05-29 | | 公開日 | 2008-06-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Genomics of Yeast SH3 Domains
To be Published
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7XKJ
 | | Kras-G12D-GDP-MRTX1133 by FIB-MicroED | | 分子名称: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, KRAS proto-oncogene, ... | | 著者 | Li, X.M. | | 登録日 | 2022-04-19 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (3 Å) | | 主引用文献 | Kras-G12D-GDP-MRTX1133 by FIB-MicroED
To Be Published
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3ODQ
 | | Structure of a Crystal Form of Human Methemoglobin Indicative of Fiber Formation | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB) | | 登録日 | 2010-08-11 | | 公開日 | 2010-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure of a crystal form of human methemoglobin indicative of fiber formation.
Acta Crystallogr.,Sect.D, 66, 2010
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2VA7
 | | X-ray crystal structure of beta secretase complexed with compound 27 | | 分子名称: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | 登録日 | 2007-08-30 | | 公開日 | 2007-11-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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7XL8
 | | Human Cx36/GJD2 (N-terminal deletion mutant) gap junction channel in soybean lipids (D6 symmetry) | | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein | | 著者 | Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S. | | 登録日 | 2022-04-21 | | 公開日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel.
Nat Commun, 14, 2023
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2V1G
 | | Crystal structure of radiation-induced myoglobin compound II - intermediate H at pH 5.2 | | 分子名称: | GLYCEROL, HYDROXIDE ION, MYOGLOBIN, ... | | 著者 | Hersleth, H.-P, Dalhus, B, Gorbitz, C.H, Andersson, K.K. | | 登録日 | 2007-05-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
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2V1J
 | | Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 8.7 | | 分子名称: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | 登録日 | 2007-05-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
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3O9E
 | | Crystal Structure of wild-type HIV-1 Protease in complex with af60 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2010-08-04 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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2VID
 | | Serine protease SplB from Staphylococcus aureus at 1.8A resolution | | 分子名称: | SERINE PROTEASE SPLB | | 著者 | Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J. | | 登録日 | 2007-11-30 | | 公開日 | 2008-05-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln.
J.Mol.Biol., 379, 2008
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3OD0
 | | Crystal structure of cGMP bound cGMP-dependent protein kinase(92-227) | | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, PRKG1 protein | | 著者 | Kim, J.J, Huang, G, Kwon, T.K, Zwart, P, Headd, J, Kim, C. | | 登録日 | 2010-08-10 | | 公開日 | 2011-05-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Plos One, 6, 2011
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2VKN
 | | YEAST SHO1 SH3 DOMAIN COMPLEXED WITH A PEPTIDE FROM PBS2 | | 分子名称: | MAP KINASE KINASE PBS2, PROTEIN SSU81, SULFATE ION | | 著者 | Kursula, P, Kursula, I, Song, Y.H, Paraskevopoulos, K, Wilmanns, M. | | 登録日 | 2007-12-20 | | 公開日 | 2008-02-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural Genomics of Yeast SH3 Domains
To be Published
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2UX2
 | | High resolution structure of human CD59 | | 分子名称: | CD59 GLYCOPROTEIN | | 著者 | Leath, K.J, Johnson, S, Roversi, P, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | 登録日 | 2007-03-26 | | 公開日 | 2007-08-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High-Resolution Structures of Bacterially Expressed Soluble Human Cd59.
Acta Crystallogr.,Sect.F, 63, 2007
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7X35
 | | Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 8A10 (CVB1-A:8A10) | | 分子名称: | 8A10 heavy chain, 8A10 light chain, VP2, ... | | 著者 | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | 登録日 | 2022-02-28 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | | 主引用文献 | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
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3O99
 | | Crystal Structure of wild-type HIV-1 Protease in complex with kd13 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2010-08-04 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3O9J
 | | Influenza NA in complex with compound 5 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | | 著者 | Russell, R.J, Kerry, P.S. | | 登録日 | 2010-08-04 | | 公開日 | 2010-12-15 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.0002 Å) | | 主引用文献 | Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
Nat Commun, 1, 2010
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7Y9J
 | | Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | | 分子名称: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-06-24 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
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