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PDB: 336 件
2EZQ
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SOLUTION NMR STRUCTURE OF ECTODOMAIN OF SIV GP41, MODELS 11-20 OF AN ENSEMBLE OF 40 SIMULATED ANNEALING STRUCTURES
分子名称: GP41
著者Caffrey, M, Gronenborn, A.M, Clore, G.M.
登録日1998-05-20
公開日1998-10-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of the 44 kDa ectodomain of SIV gp41.
EMBO J., 17, 1998
1G5S
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BU of 1g5s by Molmil
CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717
分子名称: 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE, CELL DIVISION PROTEIN KINASE 2
著者Dreyer, M.K, Borcherding, D.R, Dumont, J.A, Peet, N.P, Tsay, J.T, Wright, P.S, Bitonti, A.J, Shen, J, Kim, S.-H.
登録日2000-11-02
公開日2001-11-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717.
J.Med.Chem., 44, 2001
3FUA
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L-FUCULOSE-1-PHOSPHATE ALDOLASE CRYSTAL FORM K
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, L-FUCULOSE-1-PHOSPHATE ALDOLASE, ...
著者Dreyer, M.K, Schulz, G.E.
登録日1996-02-14
公開日1996-10-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Catalytic mechanism of the metal-dependent fuculose aldolase from Escherichia coli as derived from the structure.
J.Mol.Biol., 259, 1996
2GUF
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BU of 2guf by Molmil
In meso crystal structure of the cobalamin transporter, BtuB
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, Vitamin B12 transporter btuB, ...
著者Caffrey, M, Cherezov, V, Yamashita, E, Cramer, W.A.
登録日2006-04-29
公開日2006-12-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献In Meso Structure of the Cobalamin Transporter, BtuB, at 1.95 A Resolution.
J.Mol.Biol., 364, 2006
4IE9
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BU of 4ie9 by Molmil
Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate
分子名称: GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
著者Dreyer, M.K, Schiffer, A, Lodge, J.
登録日2012-12-13
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
4IJ9
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Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
分子名称: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Dreyer, M.K, Schiffer, A.
登録日2012-12-21
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
2FUA
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L-FUCULOSE 1-PHOSPHATE ALDOLASE CRYSTAL FORM T WITH COBALT
分子名称: BETA-MERCAPTOETHANOL, COBALT (II) ION, L-FUCULOSE-1-PHOSPHATE ALDOLASE, ...
著者Dreyer, M.K, Schulz, G.E.
登録日1996-02-14
公開日1996-10-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refined high-resolution structure of the metal-ion dependent L-fuculose-1-phosphate aldolase (class II) from Escherichia coli.
Acta Crystallogr.,Sect.D, 52, 1996
1MEQ
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HIV gp120 C5
分子名称: Exterior Membrane Glycoprotein (GP120)
著者Caffrey, M, Jacobs, A, Guilhaudis, L.
登録日2002-08-08
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of the HIV gp120 C5 Domain
Eur.J.Biochem., 269, 2002
7ZHL
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Salmonella enterica Rhs1 C-terminal toxin TreTu
分子名称: RHS repeat protein, ZINC ION
著者Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E.
登録日2022-04-06
公開日2022-11-23
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
7ZHM
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Salmonella enterica Rhs1 C-terminal toxin TreTu complex with TriTu immunity protein
分子名称: Immunity protein TriTu, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rhs1 protein, ...
著者Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E.
登録日2022-04-06
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
7PQ5
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Photorhabdus laumondii T6SS-associated Rhs protein carrying the Tre23 toxin domain
分子名称: Tre23
著者Jurenas, D, Talachia Rosa, L, Rey, M, Chamot-Rooke, J, Fronzes, R, Cascales, E.
登録日2021-09-16
公開日2021-12-01
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Mounting, structure and autocleavage of a type VI secretion-associated Rhs polymorphic toxin.
Nat Commun, 12, 2021
7R8V
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Cryo-EM structure of the ADP state actin filament
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Gong, R, Espinosa de los Reyes, S, Reynolds, M.J, Gurel, P, Alushin, G.M.
登録日2021-06-27
公開日2021-07-28
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
4PDQ
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BU of 4pdq by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neomycin analog
分子名称: (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide, MAGNESIUM ION, RNA (5'-*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C-3')
著者Hanessian, S, Saavedra, O.M, Vilchis-Reyes, M.A, Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J.
登録日2014-04-21
公開日2015-01-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, broad spectrum antibacterial activity, and X-ray co-crystal structure of the decoding bacterial ribosomal A-site with 4'-deoxy-4'-fluoro neomycin analogs
Chem Sci, 5, 2014
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2021-02-05
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7NFV
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Structure of SARS-CoV-2 Papain-like protease PLpro
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C.
登録日2021-02-07
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
1ES7
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BU of 1es7 by Molmil
COMPLEX BETWEEN BMP-2 AND TWO BMP RECEPTOR IA ECTODOMAINS
分子名称: BONE MORPHOGENETIC PROTEIN RECEPTOR IA, BONE MORPHOGENETIC PROTEIN-2
著者Kirsch, T, Sebald, W, Dreyer, M.K.
登録日2000-04-07
公開日2000-10-07
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the BMP-2-BRIA ectodomain complex.
Nat.Struct.Biol., 7, 2000
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
分子名称: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
著者Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
登録日2015-05-19
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
6RYP
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BU of 6ryp by Molmil
Bacterial membrane enzyme structure by the in meso method at 2.3 A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Lipoprotein signal peptidase, ...
著者Huang, C.Y, Olatunji, S, Bailey, J, Yu, X, Olieric, V, Wang, M, Caffrey, M.
登録日2019-06-11
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin.
Nat Commun, 11, 2020
4UXZ
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Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution
分子名称: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ...
著者Li, D, Howe, N, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXW
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Structure of delta4-DgkA-apo in 9.9 MAG
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ...
著者Li, D, Pye, V.E, Aragao, D, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UYO
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Structure of delta7-DgkA in 7.9 MAG by serial femtosecond crystatallography to 2.18 angstrom resolution
分子名称: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CITRATE ANION, ...
著者Li, D, Howe, N, Other, O, Caffrey, M.
登録日2014-09-02
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXX
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Structure of delta4-DgkA with AMPPCP in 9.9 MAG
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Li, D, Vogeley, L, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4WAB
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Crystal structure of mPGES1 solved by native-SAD phasing
分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
著者Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
登録日2014-08-29
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WIB
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Crystal structure of Magnesium transporter MgtE
分子名称: CALCIUM ION, Magnesium transporter MgtE
著者Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
登録日2014-09-25
公開日2014-12-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
5A62
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Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function
分子名称: ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN
著者Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R.
登録日2015-06-24
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function
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