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5KR1
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BU of 5kr1 by Molmil
Protease PR5-DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KQX
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Protease E35D-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KR0
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Protease E35D-APV
分子名称: GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KR2
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BU of 5kr2 by Molmil
Protease PR5-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
8ZWJ
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BU of 8zwj by Molmil
Polyadenylic acid bound alpha-synuclein fibril Polymorph 1
分子名称: Alpha-synuclein, RNA (5'-R(P*AP*AP*A)-3')
著者Tao, Y.Q, Liu, C, Li, D.
登録日2024-06-13
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Polyadenylic acid bound alpha-synuclein fibril Polymorph 1
To Be Published
8ZWK
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BU of 8zwk by Molmil
Polyadenylic acid bound alpha-synuclein fibril Polymorph 2
分子名称: Alpha-synuclein, RNA (5'-R(P*AP*AP*A)-3')
著者Tao, Y.Q, Liu, C, Li, D.
登録日2024-06-13
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Polyadenylic acid bound alpha-synuclein fibril Polymorph 2
To Be Published
8ZWM
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BU of 8zwm by Molmil
Heparin bound Tau fibril polymorph 4
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Tao, Y.Q, Liu, C, Li, D.
登録日2024-06-13
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Heparin bound Tau fibril polymorph 4
To Be Published
6M9D
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PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Chymostatin
分子名称: CALCIUM ION, Chymostatin A, SEDOLISIN
著者Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K.
登録日2018-08-23
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
2R9M
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Cathepsin S complexed with Compound 15
分子名称: Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
8ZWL
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BU of 8zwl by Molmil
Heparin bound Tau fibril polymorph 3
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Tao, Y.Q, Liu, C, Li, D.
登録日2024-06-13
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Heparin bound Tau fibril polymorph 3
To Be Published
2R9O
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BU of 2r9o by Molmil
Cathepsin S complexed with Compound 8
分子名称: Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
2R9N
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BU of 2r9n by Molmil
Cathepsin S complexed with Compound 26
分子名称: Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
6ARD
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BU of 6ard by Molmil
Monoclinic EutL - structure determined from merged "Group 2" data
分子名称: Ethanolamine utilization protein, SODIUM ION
著者Thompson, M.C, Cascio, D, Yeates, T.O.
登録日2017-08-22
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Microfocus diffraction from different regions of a protein crystal: structural variations and unit-cell polymorphism.
Acta Crystallogr D Struct Biol, 74, 2018
6B73
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BU of 6b73 by Molmil
Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
分子名称: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
著者Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
登録日2017-10-03
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
6N3A
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BU of 6n3a by Molmil
SegA-long, conformation of TDP-43 low complexity domain segment A long
分子名称: TAR DNA-binding protein 43, segA long small
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2018-11-14
公開日2019-06-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
6Y1S
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BU of 6y1s by Molmil
Bicyclic peptide bp70 in I4132 at 1.0 Angstrom resolution
分子名称: bp70
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2020-02-13
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
6N37
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SegA-sym, conformation of TDP-43 low complexity domain segment A sym
分子名称: TAR DNA-binding protein 43
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2018-11-14
公開日2019-06-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
6N3C
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BU of 6n3c by Molmil
SegB, conformation of TDP-43 low complexity domain segment A
分子名称: TAR DNA-binding protein 43
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2018-11-14
公開日2019-06-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
6N3B
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SegA-asym, conformation of TDP-43 low complexity domain segment A asym
分子名称: TAR DNA-binding protein 43
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2018-11-14
公開日2019-06-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
8AZ1
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IAPP S20G growth-phase fibril polymorph 2PF-C
分子名称: Islet amyloid polypeptide
著者Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A.
登録日2022-09-05
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
8AZ2
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IAPP S20G growth-phase fibril polymorph 3PF-CU
分子名称: Islet amyloid polypeptide
著者Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A.
登録日2022-09-05
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
6X44
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High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum
分子名称: DI(HYDROXYETHYL)ETHER, Serine repeat antigen 5
著者Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J.
登録日2020-05-22
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19733953 Å)
主引用文献Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
6X42
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High Resolution Crystal Structure Analysis of SERA5E from plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, ...
著者Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J.
登録日2020-05-21
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
8BU0
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Crystal structure of an 8 repeat consensus TPR superhelix with calcium
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Liutkus, M, Rojas, A.L, Cortajarena, A.L.
登録日2022-11-30
公開日2023-12-13
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
6ARC
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BU of 6arc by Molmil
Monoclinic EutL - structure determined from merged "Group 1" data
分子名称: CHLORIDE ION, Ethanolamine utilization protein, SODIUM ION
著者Thompson, M.C, Cascio, D, Yeates, T.O.
登録日2017-08-22
公開日2017-10-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Microfocus diffraction from different regions of a protein crystal: structural variations and unit-cell polymorphism.
Acta Crystallogr D Struct Biol, 74, 2018

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