1DXP
 
 | | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure) | | Descriptor: | GLYCEROL, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ... | | Authors: | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | | Deposit date: | 2000-01-13 | | Release date: | 2001-01-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
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8C30
 | | Crystal structure of 14-3-3 in complex with PyrinpS242 and a protein/peptide interface fragment | | Descriptor: | 14-3-3 protein sigma, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ... | | Authors: | Lau, R, Ottmann, C. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 14-3-3/Pyrin complex
To Be Published
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8C2Y
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6BH8
 | | Crystal structure of ZMPSTE24 in complex with phosphoramidon | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CAAX prenyl protease 1 homolog, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | | Authors: | Goblirsch, B.R, Arachea, B.T, Wiener, M.C. | | Deposit date: | 2017-10-30 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | Phosphoramidon inhibits the integral membrane protein zinc metalloprotease ZMPSTE24.
Acta Crystallogr D Struct Biol, 74, 2018
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4KYH
 | | Crystal structure of mouse glyoxalase I complexed with zopolrestat | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION | | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | | Deposit date: | 2013-05-29 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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8COG
 | | Human arginylated beta-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Pinto, C.S, Bakker, S.E, Suchenko, A, Hussain, H, Hatano, T, Sampath, K, Chinthalapudi, K, Mishima, M, Balasubramanian, M. | | Deposit date: | 2023-02-28 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.499 Å) | | Cite: | Structure and physiological investigation of human arginylated beta-actin
To Be Published
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8HE7
 | | ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2022-11-07 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
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8FPT
 | | STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE | | Descriptor: | Alpha-synuclein | | Authors: | Barclay, A.M, Dhavale, D.D, Borcik, C.G, Rau, M.J, Basore, K, Milchberg, M.H, Warmuth, O.A, Kotzbauer, P.T, Rienstra, C.M, Schwieters, C.D. | | Deposit date: | 2023-01-05 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue.
Biorxiv, 2023
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4CY2
 | | Crystal structure of the KANSL1-WDR5-KANSL2 complex. | | Descriptor: | KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, KAT8 REGULATORY NSL COMPLEX SUBUNIT 2, WD REPEAT-CONTAINING PROTEIN 5 | | Authors: | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | | Deposit date: | 2014-04-09 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex.
Genes Dev., 28, 2014
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8HLR
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1H4Y
 | | Structure of the Anti-Sigma Factor Antagonist SpoIIAA in its Unphosphorylated Form | | Descriptor: | ANTI-SIGMA F FACTOR ANTAGONIST | | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | | Deposit date: | 2001-05-16 | | Release date: | 2001-07-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms
Structure, 9, 2001
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8JNZ
 | | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor | | Descriptor: | 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | | Authors: | Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
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4KYK
 | | Crystal structure of mouse glyoxalase I complexed with indomethacin | | Descriptor: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | | Deposit date: | 2013-05-29 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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8D4U
 | | Crystal Structure of Neutrophil Elastase Inhibited by Eap2 from S. aureus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, ... | | Authors: | Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V. | | Deposit date: | 2022-06-02 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
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8D4Q
 | | Crystal Structure of Neutrophil Elastase Inhibited by Eap1 from S. aureus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, Neutrophil elastase | | Authors: | Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V. | | Deposit date: | 2022-06-02 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
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1H26
 | | CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2 | | Authors: | Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. | | Deposit date: | 2002-07-31 | | Release date: | 2003-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
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5SVE
 | | Structure of Calcineurin in complex with NFATc1 LxVP peptide | | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | | Authors: | Sheftic, S.R, Page, R, Peti, W. | | Deposit date: | 2016-08-05 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Investigating the human Calcineurin Interaction Network using the pi LxVP SLiM.
Sci Rep, 6, 2016
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8DJD
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8DJE
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | | Descriptor: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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8DJC
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | | Descriptor: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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8CUR
 | | Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid | | Descriptor: | 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2 | | Authors: | Tripathi, S.M, Tambo, C.S, Kiss, G, Rubin, S.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics.
Acs Chem.Biol., 18, 2023
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8DHA
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8DH8
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1CWX
 | | SOLUTION STRUCTURE OF THE HEPATITIS C VIRUS N-TERMINAL CAPSID PROTEIN 2-45 [C-HCV(2-45)] | | Descriptor: | HEPATITIS C VIRUS CAPSID PROTEIN | | Authors: | Ladaviere, L, Deleage, G, Montserret, R, Dalbon, P, Jolivet, M, Penin, F. | | Deposit date: | 1999-08-27 | | Release date: | 1999-08-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of the Immunodominant Antigenic Region of the Hepatitis C Virus Capsid Protein by NMR
To be Published
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6CU7
 | | Alpha Synuclein fibril formed by full length protein - Rod Polymorph | | Descriptor: | Alpha-synuclein | | Authors: | Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L. | | Deposit date: | 2018-03-23 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
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