Mine: Updated entries

2VU6
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ATOMIC RESOLUTION (0.95 A) STRUCTURE OF PURIFIED THAUMATIN I GROWN IN SODIUM MESO-TARTRATE AT 19 C.
Descriptor:Thaumatin-1, GLYCEROL
Authors:Jakoncic, J., Asherie, N., Ginsberg, C.
Deposit date:2008-05-21
Release date:2009-07-14
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
5OAV
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HIGH RESOLUTION CRYSTAL STRUCTURE OF THE C-SRC-SH3 DOMAIN MUTANT E93V IN COMPLEX WITH THE HIGH AFFINITY SYNTHETIC PEPTIDE APP12: MONOCLINIC CRYSTAL
Descriptor:Proto-oncogene tyrosine-protein kinase Src, APP12
Authors:Camara-Artigas, A.
Deposit date:2017-06-23
Release date:2017-07-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal
to be published
5WIA
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CRYSTAL STRUCTURE OF THE SEGMENT, GNNSYS, FROM THE LOW COMPLEXITY DOMAIN OF TDP-43, RESIDUES 370-375
Descriptor:TAR DNA-binding protein 43
Authors:Guenther, E.L., Trinh, H., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2017-07-18
Release date:2018-04-25
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.002 Å)
Cite:Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
6BT6
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CTX-M-14 S237A BETA-LACTAMASE IN COMPLEX WITH A NON-COVALENT TETRAZOLE INHIBITOR
Descriptor:Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
Authors:Pemberton, O.A., Chen, Y.
Deposit date:2017-12-05
Release date:2018-06-13
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
6C1X
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE D40N/D103N MUTANT FROM PSEUDOMONAS PUTIDA (PKSI) BOUND TO 3,4-DINITROPHENOL
Descriptor:Steroid Delta-isomerase, MAGNESIUM ION, 3,4-dinitrophenol
Authors:Yabukarski, F., Pinney, M.M., Herschlag, D.
Deposit date:2018-01-05
Release date:2018-07-25
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
6C1J
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE Y32F/Y57F/D40N MUTANT FROM PSEUDOMONAS PUTIDA (PKSI) BOUND TO 3,4-DINITROPHENOL
Descriptor:Steroid Delta-isomerase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Yabukarski, F., Pinney, M.M., Herschlag, D.
Deposit date:2018-01-04
Release date:2018-07-25
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.063 Å)
Cite:Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
2VU7
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ATOMIC RESOLUTION (1.08 A) STRUCTURE OF PURIFIED THAUMATIN I GROWN IN SODIUM MESO-TARTRATE AT 4 C
Descriptor:Thaumatin-1, S,R MESO-TARTARIC ACID, 1,2-ETHANEDIOL
Authors:Jakoncic, J., Asherie, N., Ginsberg, C.
Deposit date:2008-05-21
Release date:2009-07-14
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
6C17
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE D40N MUTANT FROM PSEUDOMONAS PUTIDA (PKSI) BOUND TO 3,4-DINITROPHENOL
Descriptor:Steroid Delta-isomerase, MAGNESIUM ION, 3,4-dinitrophenol
Authors:Yabukarski, F., Pinney, M., Herschlag, D.
Deposit date:2018-01-04
Release date:2018-07-25
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
6BXD
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CRYSTAL STRUCTURE OF VARIABLE LYMPHOCYTE RECEPTOR 2 (VLR2)
Descriptor:Variable Lymphocyte Receptor 2, SULFATE ION, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
Authors:Gunn, R.J., Wilson, I.A., Cooper, M.D., Herrin, B.R.
Deposit date:2017-12-18
Release date:2018-05-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.103 Å)
Cite:VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies.
J. Mol. Biol., 430, 2018
6BRA
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HIV-1 PROTEASE (D25N, INACTIVE) IN COMPLEX WITH PHAGE DISPLAY OPTIMIZED SUBSTRATE SGIFLETS
Descriptor:Protease, Phage display-optimized HIV-1 protease substrate, CHLORIDE ION
Authors:Windsor, I.W., Raines, R.T.
Deposit date:2017-11-30
Release date:2018-07-18
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:A substrate selected by phage display exhibits enhanced side-chain hydrogen bonding to HIV-1 protease.
Acta Crystallogr D Struct Biol, 74, 2018
6CBA
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ETHYLENE FORMING ENZYME IN COMPLEX WITH MANGANESE, 2-OXOGLUTARATE AND CANAVANINE
Descriptor:2-oxoglutarate-dependent ethylene/succinate-forming enzyme, MANGANESE (II) ION, 2-OXOGLUTARIC ACID, ...
Authors:Fellner, M., Martinez, S., Hu, J., Hausinger, R.P.
Deposit date:2018-02-02
Release date:2019-02-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:tba
to be published
6CDJ
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HIV-1 WILD TYPE PROTEASE WITH GRL-03314A, 6-5-5-RING FUSED UMBRELLA-LIKE TETRAHYDROPYRANOFURAN AS THE P2-LIGAND, A CYCLOPROPYLAMINOBENZOTHIAZOLE AS THE P2'-LIGAND AND 3,5-DIFLUOROPHENYLMETHYL AS THE P1-LIGAND
Descriptor:Protease, (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, SODIUM ION, ...
Authors:Wang, Y.-F., Agniswamy, J., Weber, I.T.
Deposit date:2018-02-08
Release date:2018-05-30
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.
J. Med. Chem., 61, 2018
5NNE
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIACETYLATED TOP2A PEPTIDE (K1201AC/K1204AC)
Descriptor:Bromodomain-containing protein 4, GKA(ALY)GK(ALY)TQMY, 1,2-ETHANEDIOL
Authors:Filippakopoulos, P., Picaud, S., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C.
Deposit date:2017-04-08
Release date:2018-05-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
5NNF
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH AN ACETYLATED BAZ1B PEPTIDE (K221AC)
Descriptor:Bromodomain-containing protein 4, FLPH(ALY)YDVKL
Authors:Filippakopoulos, P., Picaud, S., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C.
Deposit date:2017-04-08
Release date:2018-05-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
6BID
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1.15 A RESOLUTION STRUCTURE OF NOROVIRUS 3CL PROTEASE IN COMPLEX WITH A TRIAZOLE-BASED MACROCYCLIC INHIBITOR
Descriptor:3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
Authors:Lovell, S., Battaile, K.P., Mehzabeen, N., Kankanamalage, A.C.G., Weerawarna, P.M., Rathnayake, A.D., Kim, Y., Chang, K.O., Groutas, W.C.
Deposit date:2017-11-01
Release date:2018-11-07
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Rearrangements Associated with the Interaction of Macrocyclic Inhibitors with Norovirus 3CL Protease
To be Published
6BU3
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CTX-M-27 BETA-LACTAMASE IN COMPLEX WITH A NON-COVALENT TETRAZOLE INHIBITOR
Descriptor:Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, SULFATE ION
Authors:Pemberton, O.A., Chen, Y.
Deposit date:2017-12-08
Release date:2018-06-13
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
6CPB
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CRYSTAL STRUCTURE OF THE HEME DOMAIN OF COOA FROM CARBOXYDOTHERMUS HYDROGENOFORMANS
Descriptor:Carbon monoxide oxidation system transcription regulator CooA-1, SULFATE ION, GLYCEROL
Authors:Tripathi, S.M., Poulos, T.L.
Deposit date:2018-03-13
Release date:2018-05-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.155 Å)
Cite:Testing the N-Terminal Velcro Model of CooA Carbon Monoxide Activation.
Biochemistry, 57, 2018
5J9V
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TEN MINUTES IRON LOADED RANA CATESBEIANA H' FERRITIN VARIANT E57A/E136A/D140A
Descriptor:Ferritin, middle subunit, FE (II) ION, ...
Authors:Pozzi, C., Di Pisa, F., Mangani, S., Bernacchioni, C., Turano, P.
Deposit date:2016-04-11
Release date:2016-10-05
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
6GJL
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CYCLOPHILIN A COMPLEXED WITH TRI-VECTOR LIGAND 10.
Descriptor:Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate
Authors:Georgiou, C., De Simone, A., Walkinshaw, M.D., Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
5OB0
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CRYSTAL STRUCTURE OF THE C-SRC-SH3 DOMAIN Q128E MUTANT IN COMPLEX WITH THE HIGH AFFINITY PEPTIDE APP12
Descriptor:Proto-oncogene tyrosine-protein kinase Src, APP12, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2017-06-25
Release date:2017-07-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.172 Å)
Cite:Crystal structure of the c-Src-SH3 domain Q128E mutant in complex with the high affinity peptide APP12
to be published
5OB1
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CRYSTAL STRUCTURE OF THE C-SRC-SH3 DOMAIN Q128R MUTANT IN COMPLEX WITH THE HIGH AFFINITY PEPTIDE APP12
Descriptor:Proto-oncogene tyrosine-protein kinase Src, APP12
Authors:Camara-Artigas, A.
Deposit date:2017-06-25
Release date:2017-07-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.172 Å)
Cite:Crystal structure of the c-Src-SH3 domain Q128R mutant in complex with the high affinity peptide APP12
to be published
6C2O
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE VARIANT Y56H IN COMPLEX WITH DANOPREVIR
Descriptor:NS3 protease, (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, ZINC ION, ...
Authors:Matthew, A.N., Schiffer, C.A.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To be Published
5M7D
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BLOOD GROUP SYNTHASE AAGLYB IN COMPLEX WITH UDP-GAL AND CRYOPROTECTED WITH GLYCEROL
Descriptor:Histo-blood group ABO system transferase, MANGANESE (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ...
Authors:Rocha, J., Royant, A.
Deposit date:2016-10-27
Release date:2017-11-29
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Blood group synthase AAGlyB in complex with UDP-Gal and cryoprotected with glycerol
To be published
5NNG
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH AN ACETYLATED SRPK1 PEPTIDE (K585AC)
Descriptor:Bromodomain-containing protein 4, VAG(ALY)YS(ALY)EFFY, 1,2-ETHANEDIOL
Authors:Filippakopoulos, P., Picaud, S., Newman, J., Sorrell, F., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Structural Genomics Consortium (SGC)
Deposit date:2017-04-08
Release date:2018-05-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
5YUI
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CO2 RELEASE IN HUMAN CARBONIC ANHYDRASE II CRYSTALS: REVEAL HISTIDINE 64 AND SOLVENT DYNAMICS
Descriptor:Carbonic anhydrase 2, ZINC ION, CARBON DIOXIDE, ...
Authors:Kim, C.U., Park, S.Y., McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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