7KEV
 
 | | PCSK9 in complex with a cyclic peptide LDLR disruptor | | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ... | | Authors: | Spraggon, G, Chopra, R. | | Deposit date: | 2020-10-12 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
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6PZG
 | | Crystal structure of human NA-80 Fab | | Descriptor: | NA-80 Fab heavy chain, NA-80 Fab light chain | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2019-07-31 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
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6PV9
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3LEA
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6PZZ
 | | CryoEM derived model of NA-80 Fab in complex with N9 Shanghai2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-80 fragment antibody heavy chain, ... | | Authors: | Ward, A.B, Turner, H.L, Zhu, X. | | Deposit date: | 2019-08-01 | | Release date: | 2019-12-04 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
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7LTJ
 | | Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040 | | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-02-19 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J.Chem.Inf.Model., 62, 2022
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6PZH
 | | Crystal structure of human NA-22 Fab | | Descriptor: | NA-22 Fab heavy chain, NA-22 Fab light chain | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2019-07-31 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
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6PZY
 | | CryoEM derived model of NA-73 Fab in complex with N9 Shanghai2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-73 fragment antibody heavy chain, ... | | Authors: | Ward, A.B, Turner, H.L, Zhu, X. | | Deposit date: | 2019-08-01 | | Release date: | 2019-12-04 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
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6JVB
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3LE9
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6U02
 | | CryoEM-derived model of NA-63 Fab in complex with N9 Shanghai2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab-63 Heavy Chain, Fab-63 Light Chain, ... | | Authors: | Ward, A.B, Turner, H.L, Zhu, X. | | Deposit date: | 2019-08-13 | | Release date: | 2019-12-04 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
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3DJW
 | | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1 | | Descriptor: | ORF99 | | Authors: | Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | | Deposit date: | 2008-06-24 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Protein Sci., 18, 2009
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3T38
 | | Corynebacterium glutamicum thioredoxin-dependent arsenate reductase Cg_ArsC1' | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Arsenate Reductase | | Authors: | Messens, J, Wahni, K, Dufe, T.V. | | Deposit date: | 2011-07-25 | | Release date: | 2011-11-23 | | Last modified: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Corynebacterium glutamicum survives arsenic stress with arsenate reductases coupled to two distinct redox mechanisms.
Mol.Microbiol., 82, 2011
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4MSL
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | | Descriptor: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2013-09-18 | | Release date: | 2014-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
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6MBP
 | | GLP Methyltransferase with Inhibitor EML741- P3121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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7BLY
 | | Structure of the chitin deacetylase AngCDA from Aspergillus niger | | Descriptor: | Aspergillus niger contig An12c0130, genomic contig, CHLORIDE ION, ... | | Authors: | Roret, T, Bonin, M, Hembach, L, Moerschbacher, B.M. | | Deposit date: | 2021-01-19 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.
J.Biol.Chem., 297, 2021
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8T7J
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3DF6
 | | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1 | | Descriptor: | CALCIUM ION, ORF99 | | Authors: | Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | | Deposit date: | 2008-06-11 | | Release date: | 2009-06-16 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Protein Sci., 18, 2009
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3PUP
 | | Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1) | | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium octasporine | | Authors: | Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S. | | Deposit date: | 2010-12-06 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
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5OVZ
 | | High resolution structure of the PBP NocT in complex with nopaline | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | | Authors: | Vigouroux, A, Morera, S. | | Deposit date: | 2017-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
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4UP4
 | | Structure of the recombinant lectin PVL from Psathyrella velutina in complex with GlcNAcb-D-1,3Galactoside | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ... | | Authors: | Audfray, A, Beljoudi, M, Hurbin, A, Varrot, A, Breiman, A, Busser, B, Lependu, J, Coll, J.L, Imberty, A. | | Deposit date: | 2014-06-12 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Recombinant Fungal Lectin for Labeling Truncated Glycans on Human Cancer Cells.
Plos One, 10, 2015
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6MBO
 | | GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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2PN5
 | | Crystal Structure of TEP1r | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | Baxter, R.H.G. | | Deposit date: | 2007-04-23 | | Release date: | 2007-07-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Structural basis for conserved complement factor-like function in the antimalarial protein TEP1
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6JV9
 | | Crystal Structure of Human CRMP2 1-532, unmodified | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ... | | Authors: | Jiang, X, Ogawa, T, Hirokawa, N. | | Deposit date: | 2019-04-16 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis.
Life Sci Alliance, 2, 2019
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5FE2
 | | Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3) | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3~{H}-isoindol-1-one, Histone acetyltransferase KAT2B | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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