8DA5
 
 | | Coevolved affibody-Z domain pair LL1.c4 | | Descriptor: | GLYCEROL, Immunoglobulin G-binding protein A, affibody LL1.FIVM | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8DA7
 | | Coevolved affibody-Z domain pair LL1.c6 | | Descriptor: | Immunoglobulin G-binding protein A, MALONATE ION, affibody LL1.FIFV | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8DA8
 | | Coevolved affibody-Z domain pair LL2.c1 | | Descriptor: | Affibody LL2.FIIK, GLYCEROL, Immunoglobulin G-binding protein A | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8DAC
 | | Coevolved affibody-Z domain pair LL2.c22 | | Descriptor: | Affibody LL2.FILV, GLYCEROL, Immunoglobulin G-binding protein A | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8DAB
 | | Coevolved affibody-Z domain pair LL2.c17 | | Descriptor: | Affibody LL2.IVVY, Immunoglobulin G-binding protein A | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.134 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8DAA
 | | Coevolved affibody-Z domain pair LL2.c7 | | Descriptor: | Affibody LL2.FIVK, Immunoglobulin G-binding protein A, MALONATE ION | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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5URJ
 | | Crystal structure of human BRR2 in complex with T-3905516 | | Descriptor: | 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Klein, M.G, Tjhen, R, Qin, L. | | Deposit date: | 2017-02-10 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
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5URK
 | | Crystal structure of human BRR2 in complex with T-3935799 | | Descriptor: | 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Qin, L, Tjhen, R, Klein, M.G. | | Deposit date: | 2017-02-10 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
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5JHF
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5URM
 | | Crystal structure of human BRR2 in complex with T-1206548 | | Descriptor: | 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Klein, M.G, Tjhen, R, Qin, L. | | Deposit date: | 2017-02-11 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
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7TR4
 | | MA2-MART1-HLAA0201 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA-A*02:01, ... | | Authors: | Yang, X, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-01-27 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Facile repurposing of peptide-MHC-restricted antibodies for cancer immunotherapy.
Nat.Biotechnol., 41, 2023
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6G0C
 | | Crystal structure of SdeA catalytic core | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitinating/deubiquitinating enzyme SdeA | | Authors: | Kalayil, S, Bhogaraju, S, Basquin, J, Dikic, I. | | Deposit date: | 2018-03-17 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Insights into catalysis and function of phosphoribosyl-linked serine ubiquitination.
Nature, 557, 2018
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3WG5
 | | 1510-N membrane-bound stomatin-specific protease K138A mutant in complex with a substrate peptide under heat treatment | | Descriptor: | 441aa long hypothetical nfeD protein, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yokoyama, H, Fujii, S, Matsui, I. | | Deposit date: | 2013-07-26 | | Release date: | 2013-10-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and biochemical analysis of a thermostable membrane-bound stomatin-specific protease.
J.Synchrotron Radiat., 20, 2013
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5ZU1
 | | Crystal Structure of BZ junction in diverse sequence | | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*AP*GP*GP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*CP*TP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | | Authors: | Kim, K.K, Kim, D. | | Deposit date: | 2018-05-05 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.009 Å) | | Cite: | Sequence preference and structural heterogeneity of BZ junctions.
Nucleic Acids Res., 46, 2018
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5ZUO
 | | Crystal Structure of BZ junction in diverse sequence | | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*TP*CP*GP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | | Authors: | Kim, K.K, Kim, D. | | Deposit date: | 2018-05-08 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Sequence preference and structural heterogeneity of BZ junctions.
Nucleic Acids Res., 46, 2018
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5ZUP
 | | Crystal Structure of BZ junction in diverse sequence | | Descriptor: | (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*TP*CP*GP*CP*GP*CP*GP*CP*G)-3'), (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*AP*AP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | | Authors: | Kim, K.K, Kim, D. | | Deposit date: | 2018-05-08 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Sequence preference and structural heterogeneity of BZ junctions.
Nucleic Acids Res., 46, 2018
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2D24
 | | Crystal structure of ES complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ... | | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | | Deposit date: | 2005-09-02 | | Release date: | 2006-10-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
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2D22
 | | Crystal structure of covalent glycosyl-enzyme intermediate of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ... | | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | | Deposit date: | 2005-09-02 | | Release date: | 2006-10-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
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2D1Z
 | | Crystal structure of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION | | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | | Deposit date: | 2005-09-02 | | Release date: | 2006-10-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
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2D20
 | | Crystal structure of michaelis complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, P-NITROPHENOL, ... | | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | | Deposit date: | 2005-09-02 | | Release date: | 2006-10-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
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2D23
 | | Crystal structure of EP complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | | Descriptor: | AZIDE ION, ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, ... | | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | | Deposit date: | 2005-09-02 | | Release date: | 2006-10-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
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4OWI
 | | peptide structure | | Descriptor: | p53LZ2 | | Authors: | Lee, J.-H. | | Deposit date: | 2014-02-02 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.202 Å) | | Cite: | Protein grafting of p53TAD onto a leucine zipper scaffold generates a potent HDM dual inhibitor.
Nat Commun, 5, 2014
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4PSI
 | | PIH1D1/phospho-Tel2 complex | | Descriptor: | PIH1 domain-containing protein 1, Telomere length regulation protein TEL2 homolog | | Authors: | Smerdon, S.J, Boulton, S.J, Stach, L, Flower, T.G, Horejsi, Z. | | Deposit date: | 2014-03-07 | | Release date: | 2014-04-23 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Phosphorylation-Dependent PIH1D1 Interactions Define Substrate Specificity of the R2TP Cochaperone Complex.
Cell Rep, 7, 2014
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4QL8
 | | Crystal structure of Androgen Receptor in complex with the ligand | | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
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3DY7
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | | Deposit date: | 2008-07-25 | | Release date: | 2009-06-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
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