4W5M
 
 | | Prp peptide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PrP peptide | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-08-18 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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4W5Y
 | | Crystal structure of Prp pepttide | | Descriptor: | Prp peptide | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-08-19 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.122 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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4W5L
 | | Crystal structure of a prp peptide | | Descriptor: | PrP peptide | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-08-18 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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4WBV
 | | Crystal structure of a prion peptide | | Descriptor: | PrP peptide | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-09-03 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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6V5T
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6V64
 | | Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Ruben, E.A, Chen, Z, Di Cera, E. | | Deposit date: | 2019-12-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | 19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
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4ZTR
 | | Human Aurora A catalytic domain bound to FK1141 | | Descriptor: | 6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid, Aurora kinase A | | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | | Deposit date: | 2015-05-15 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
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3UW4
 | | Crystal structure of cIAP1 BIR3 bound to GDC0152 | | Descriptor: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | | Authors: | Maurer, B, Hymowitz, S. | | Deposit date: | 2011-11-30 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
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4ZTQ
 | | Human Aurora A catalytic domain bound to FK932 | | Descriptor: | (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, Aurora kinase A | | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | | Deposit date: | 2015-05-14 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
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6FTP
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4ZS0
 | | Human Aurora A catalytic domain bound to SB-6-OH | | Descriptor: | 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one, Aurora kinase A | | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | | Deposit date: | 2015-05-12 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
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4ZTS
 | | Human Aurora A catalytic domain bound to FK1142 | | Descriptor: | (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, Aurora kinase A | | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | | Deposit date: | 2015-05-15 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
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6HGJ
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6HGN
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6HGG
 | | Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with cortisol | | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | | Authors: | Schmidt, K, Muller, Y.A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
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6HGM
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6HGF
 | | Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol | | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | | Authors: | Schmidt, K, Muller, Y.A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
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8OH2
 | | Structure of the Tau-PAM4 Type 1 amyloid fibril | | Descriptor: | Microtubule-associated protein tau | | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2023-03-20 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Local structural preferences in shaping tau amyloid polymorphism.
Nat Commun, 15, 2024
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8OHI
 | | Structure of the Fmoc-Tau-PAM4 Type 2 amyloid fibril | | Descriptor: | Microtubule-associated protein tau | | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Local structural preferences in shaping tau amyloid polymorphism.
Nat Commun, 15, 2024
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8OHP
 | | Structure of the Fmoc-Tau-PAM4 Type 3 amyloid fibril | | Descriptor: | Microtubule-associated protein tau | | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Local structural preferences in shaping tau amyloid polymorphism.
Nat Commun, 15, 2024
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8OI0
 | | Structure of the Fmoc-Tau-PAM4 Type 4 amyloid fibril | | Descriptor: | Microtubule-associated protein tau | | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Local structural preferences in shaping tau amyloid polymorphism.
Nat Commun, 15, 2024
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6TCX
 | | Papain bound to a natural cysteine protease inhibitor from Streptomyces mobaraensis | | Descriptor: | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Papain | | Authors: | Kraemer, A, Juettner, N.E, Fuchsbauer, H.-L, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-11-06 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Decoding the Papain Inhibitor from Streptomyces mobaraensis as Being Hydroxylated Chymostatin Derivatives: Purification, Structure Analysis, and Putative Biosynthetic Pathway.
J.Nat.Prod., 83, 2020
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6HGK
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8CMQ
 | | Crystal structure of an 8-repeat consensus TPR superhelix with Tb | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Consensus tetratricopeptide repeat protein, ... | | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | Deposit date: | 2023-02-20 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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8CKR
 | | Crystal structure of an 8-repeat consensus TPR superhelix with in Hepes with Ca | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Consensus tetratricopeptide repeat protein | | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | Deposit date: | 2023-02-16 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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