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7MMB
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Crystal structure of HCV NS3/4A D168A protease in complex with NR01-127
分子名称: 1,2-ETHANEDIOL, NS3 protease, SULFATE ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
7MMC
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Crystal structure of HCV NS3/4A D168A protease in complex with NR01-115
分子名称: (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
2VHT
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BU of 2vht by Molmil
P4 PROTEIN FROM BACTERIOPHAGE PHI12 R279A mutant in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, NTPASE P4
著者Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R.
登録日2007-11-25
公開日2007-12-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor.
J.Biol.Chem., 283, 2008
1R5V
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Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T-cell activation
分子名称: H-2 class II histocompatibility antigen, E-K alpha chain, MHC H2-IE-beta, ...
著者Krogsgaard, M, Prado, N, Adams, E.J, He, X.L, Chow, D.C, Wilson, D.B, Garcia, K.C, Davis, M.M.
登録日2003-10-13
公開日2004-02-03
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T cell activation.
Mol.Cell, 12, 2003
1DT1
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BU of 1dt1 by Molmil
THERMUS THERMOPHILUS CYTOCHROME C552 SYNTHESIZED BY ESCHERICHIA COLI
分子名称: CYTOCHROME C552, HEME C
著者Fee, J.A, Chen, Y, Hill, M.J, Gomez-Moran, E, Loehr, T, Ai, J, Thony-Meyer, L, Williams, P.A, Stura, E, Sridhar, V, McRee, D.E.
登録日2000-01-10
公開日2000-02-18
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Integrity of thermus thermophilus cytochrome c552 synthesized by Escherichia coli cells expressing the host-specific cytochrome c maturation genes, ccmABCDEFGH: biochemical, spectral, and structural characterization of the recombinant protein.
Protein Sci., 9, 2000
1MU8
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BU of 1mu8 by Molmil
thrombin-hirugen_l-378,650
分子名称: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
著者Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J.
登録日2002-09-23
公開日2004-04-06
最終更新日2021-07-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
1S3Q
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Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus
分子名称: ZINC ION, ferritin
著者Johnson, E, Cascio, D, Sawaya, M, Schroeder, I.
登録日2004-01-13
公開日2005-04-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus.
Structure, 13, 2005
7MMD
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BU of 7mmd by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-19
分子名称: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
4FID
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BU of 4fid by Molmil
Crystal structure of a heterotrimeric G-Protein subunit from entamoeba histolytica, EHG-ALPHA-1
分子名称: G protein alpha subunit, GUANOSINE-5'-DIPHOSPHATE
著者Bosch, D.E, Kimple, A.J, Muller, R.E, Gigure, P.M, Willard, F.S, Machius, M, Temple, B.R, Siderovski, D.P.
登録日2012-06-08
公開日2012-11-28
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Heterotrimeric G-protein Signaling Is Critical to Pathogenic Processes in Entamoeba histolytica.
Plos Pathog., 8, 2012
3JAL
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BU of 3jal by Molmil
Cryo-EM structure of GMPCPP-microtubule co-polymerized with EB3
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Microtubule-associated protein RP/EB family member 3, ...
著者Zhang, R, Nogales, E.
登録日2015-06-16
公開日2015-08-12
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins.
Cell(Cambridge,Mass.), 162, 2015
1S96
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BU of 1s96 by Molmil
The 2.0 A X-ray structure of Guanylate Kinase from E.coli
分子名称: Guanylate kinase, PHOSPHATE ION, UNKNOWN ATOM OR ION
著者Kreusch, A, Spraggon, G, Klock, H.E, McMullan, D, Vincent, J, Rodrigues, K, Lesley, S.A.
登録日2004-02-03
公開日2004-02-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of Guanylate Kinase from Escherichia coli at 2.0 A resolution
To be Published
2MU7
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BU of 2mu7 by Molmil
Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria
分子名称: 1513 MSP-1 peptide
著者Espejo, F, Bermudez, A, Torres, E, Urquiza, M, Rodriguez, R, Lopez, Y, Patarroyo, M.
登録日2014-09-04
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria.
Biochem.Biophys.Res.Commun., 315, 2004
1OCE
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BU of 1oce by Molmil
ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268
分子名称: ACETYLCHOLINESTERASE, CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE
著者Bartolucci, C, Perola, E, Cellai, L, Brufani, M, Lamba, D.
登録日1998-06-12
公開日1999-05-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献"Back door" opening implied by the crystal structure of a carbamoylated acetylcholinesterase.
Biochemistry, 38, 1999
6AZ3
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BU of 6az3 by Molmil
Cryo-EM structure of of the large subunit of Leishmania ribosome bound to paromomycin
分子名称: 60S ribosomal protein L10, putative, 60S ribosomal protein L11 (L5, ...
著者Shalev-Benami, M, Zhang, Y, Rozenberg, H, Nobe, Y, Taoka, M, Matzov, D, Zimmerman, E, Bashan, A, Isobe, T, Jaffe, C.L, Yonath, A, Skiniotis, G.
登録日2017-09-09
公開日2017-12-06
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin.
Nat Commun, 8, 2017
2WEB
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BU of 2web by Molmil
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
分子名称: METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ...
著者Ding, J, Fraser, M.E, James, M.N.G.
登録日1998-02-03
公開日1998-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
7NE2
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Crystal structure of class I SFP aldolase YihT from Salmonella enterica with SFP/ DHAP (Schiff base complex with active site Lys193)
分子名称: (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid, Sulfofructosephosphate aldolase, [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
著者Sharma, M, Davies, G.J.
登録日2021-02-03
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
3ZDD
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BU of 3zdd by Molmil
Structure of E. coli ExoIX in complex with the palindromic 5ov6 oligonucleotide and potassium
分子名称: 1,2-ETHANEDIOL, 5OV6 DNA, ISOPROPYL ALCOHOL, ...
著者Flemming, C.S, Hemsworth, G.R, Anstey-Gilbert, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
登録日2012-11-26
公開日2013-07-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of Escherichia coli ExoIX--implications for DNA binding and catalysis in flap endonucleases.
Nucleic Acids Res., 41, 2013
4JRQ
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Crystal structure of E. coli Exonuclease I in complex with a 5cy-dA13 oligonucleotide
分子名称: 5cy-dA13, Exodeoxyribonuclease I, SULFATE ION
著者Bell, C.E.
登録日2013-03-21
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion.
Nucleic Acids Res., 41, 2013
2VHQ
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P4 PROTEIN FROM BACTERIOPHAGE PHI12 S252A mutant in complex with ATP AND MG
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NTPASE P4
著者Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R.
登録日2007-11-22
公開日2007-12-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor.
J.Biol.Chem., 283, 2008
2VHJ
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P4 PROTEIN FROM BACTERIOPHAGE PHI12 S252A mutant in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, NTPASE P4
著者Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R.
登録日2007-11-21
公開日2007-12-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor.
J.Biol.Chem., 283, 2008
1OIP
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The Molecular Basis of Vitamin E Retention: Structure of Human Alpha-Tocopherol Transfer Protein
分子名称: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, ALPHA-TOCOPHEROL TRANSFER PROTEIN, SULFATE ION
著者Meier, R, Tomizaki, T, Schulze-Briese, C, Baumann, U, Stocker, A.
登録日2003-06-24
公開日2004-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Molecular Basis of Vitamin E Retention: Structure of Human Alpha-Tocopherol Transfer Protein
J.Mol.Biol., 331, 2003
2V7Q
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The structure of F1-ATPase inhibited by I1-60HIS, a monomeric form of the inhibitor protein, IF1.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE DELTA CHAIN, ...
著者Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2007-07-31
公開日2007-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How the Regulatory Protein, If1, Inhibits F1- ATPase from Bovine Mitochondria.
Proc.Natl.Acad.Sci.USA, 104, 2007
2NSM
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Crystal structure of the human carboxypeptidase N (Kininase I) catalytic domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase N catalytic chain, SULFATE ION
著者Keil, C, Maskos, K, Than, M, Hoopes, J.T, Huber, R, Tan, F, Deddish, P.A, Erdoes, E.G, Skidgel, R.A, Bode, W.
登録日2006-11-05
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the human carboxypeptidase N (kininase I) catalytic domain
J.Mol.Biol., 366, 2007
2O1C
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Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase
分子名称: PYROPHOSPHATE, SULFATE ION, dATP pyrophosphohydrolase
著者Gabelli, S.B, Bianchet, M.A, Amzel, L.M.
登録日2006-11-28
公開日2007-08-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis.
Structure, 15, 2007
3JAK
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Cryo-EM structure of GTPgammaS-microtubule co-polymerized with EB3 (merged dataset with and without kinesin bound)
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, R, Nogales, E.
登録日2015-06-16
公開日2015-08-12
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins.
Cell(Cambridge,Mass.), 162, 2015

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