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1D2R
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BU of 1d2r by Molmil
2.9 A CRYSTAL STRUCTURE OF LIGAND-FREE TRYPTOPHANYL-TRNA SYNTHETASE: DOMAIN MOVEMENTS FRAGMENT THE ADENINE NUCLEOTIDE BINDING SITE.
Descriptor: PROTEIN (TRYPTOPHANYL TRNA SYNTHETASE)
Authors:Ilyin, V.A, Carter Jr, C.W.
Deposit date:1999-09-27
Release date:2000-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2.9 A crystal structure of ligand-free tryptophanyl-tRNA synthetase: domain movements fragment the adenine nucleotide binding site.
Protein Sci., 9, 2000
1D48
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BU of 1d48 by Molmil
STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA (MAGNESIUM FREE) AT 1 ANGSTROM RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
Authors:Egli, M, Williams, L.D, Gao, Q, Rich, A.
Deposit date:1991-09-11
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of the pure-spermine form of Z-DNA (magnesium free) at 1-A resolution.
Biochemistry, 30, 1991
1E6F
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BU of 1e6f by Molmil
Human MIR-receptor, repeat 11
Descriptor: CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
Authors:Von Buelow, R, Rajashankar, K.R, Dauter, M, Dauter, Z, Grimme, S, Schmidt, B, Von Figura, K, Uson, I.
Deposit date:2000-08-15
Release date:2001-08-09
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Locating the Anomalous Scatterer Substructures in Halide and Sulfur Phasing
Acta Crystallogr.,Sect.D, 59, 2003
1EMA
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BU of 1ema by Molmil
GREEN FLUORESCENT PROTEIN FROM AEQUOREA VICTORIA
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:Ormo, M, Remington, S.J.
Deposit date:1996-08-01
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Aequorea victoria green fluorescent protein.
Science, 273, 1996
1EOV
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BU of 1eov by Molmil
FREE ASPARTYL-TRNA SYNTHETASE (ASPRS) (E.C. 6.1.1.12) FROM YEAST
Descriptor: ASPARTYL-TRNA SYNTHETASE
Authors:Sauter, C, Lorber, B, Cavarelli, J, Moras, D, Giege, R.
Deposit date:2000-03-24
Release date:2000-09-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The free yeast aspartyl-tRNA synthetase differs from the tRNA(Asp)-complexed enzyme by structural changes in the catalytic site, hinge region, and anticodon-binding domain.
J.Mol.Biol., 299, 2000
6TYW
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BU of 6tyw by Molmil
Structure of Ku80 von Willebrand domain S229A mutant complexed with APLF Ku Binding Motif
Descriptor: 1,2-ETHANEDIOL, GLU-ARG-LYS-ARG-ILE-LEU-PRO-THR-TRP-MET-LEU-ALA-GLU, X-ray repair cross-complementing protein 5
Authors:Min, J, Pedersen, L.C.
Deposit date:2019-08-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69965541 Å)
Cite:Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
6TYZ
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BU of 6tyz by Molmil
Structure of Ku80 von Willebrand domain complexed with APLF Ku Binding Motif
Descriptor: 1,2-ETHANEDIOL, GLU-ARG-LYS-ARG-ILE-LEU-PRO-THR-TRP-MET-LEU-ALA, X-ray repair cross-complementing protein 5
Authors:Min, J, Pedersen, L.C.
Deposit date:2019-08-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.51076627 Å)
Cite:Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
6NY5
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BU of 6ny5 by Molmil
Crystal structure of the PUM-HD domain of S. pombe Puf1 in complex with RNA
Descriptor: MAGNESIUM ION, Pumilio domain-containing protein C56F2.08c, RNA (5'-R(P*UP*UP*AP*AP*UP*AP*AP*CP*UP*UP*AP*AP*U)-3'), ...
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2019-02-11
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Distinct RNA-binding modules in a single PUF protein cooperate to determine RNA specificity.
Nucleic Acids Res., 47, 2019
6U04
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BU of 6u04 by Molmil
Crystal structure of human BRPF1 PZP bound to histone H3 tail
Descriptor: Histone H3.3,BRPF1, Peregrin, PRASEODYMIUM ION, ...
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2019-08-13
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular Basis for the PZP Domain of BRPF1 Association with Chromatin.
Structure, 28, 2020
6U69
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BU of 6u69 by Molmil
Crystal structure of Yck2 from Candida albicans, apoenzyme
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-29
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
6UAO
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BU of 6uao by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UD6
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BU of 6ud6 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Descriptor: CHLORIDE ION, GLYCEROL, Streptavidin
Authors:Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
6U0F
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BU of 6u0f by Molmil
Neutron crystal structure of T4L L99AE
Descriptor: CHLORIDE ION, Endolysin
Authors:Cuneo, M.J, Myles, D.A, Li, L.
Deposit date:2019-08-14
Release date:2020-08-19
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2.053 Å), X-RAY DIFFRACTION
Cite:Solvent entry into cavities of T4 lysozyme.
To be published
6OBB
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BU of 6obb by Molmil
JAK2 JH2 in complex with JAK170
Descriptor: 5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Krimmer, S.G, Liosi, M.E, Puleo, D.E, Schlessinger, J, Jorgensen, W.L.
Deposit date:2019-03-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
6U28
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BU of 6u28 by Molmil
Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human PI3K
Descriptor: Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Cho, J.H, Zhao, B, Savage, N, Li, P.
Deposit date:2019-08-19
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UHX
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BU of 6uhx by Molmil
Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized oxidoreductase YIR035C
Authors:Stogios, P.J, Skarina, T, Chen, C, Kagan, O, Iakounine, A, Savchenko, A.
Deposit date:2019-09-29
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
To Be Published
6OHH
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BU of 6ohh by Molmil
Structure of EF1p2_mFAP2b bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, CALCIUM ION, EF1p2_mFAP2b
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Nat Commun, 12, 2021
6OPV
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BU of 6opv by Molmil
HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
6OPZ
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BU of 6opz by Molmil
HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
6U0B
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BU of 6u0b by Molmil
Neutron crystal structure of wtT4LD
Descriptor: CHLORIDE ION, Endolysin
Authors:Cuneo, M.J, Myles, D.A, Li, L.
Deposit date:2019-08-14
Release date:2020-08-19
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.951 Å), X-RAY DIFFRACTION
Cite:Solvent entry into cavities of T4 lysozyme.
To be published
6OLQ
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BU of 6olq by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, apo state
Descriptor: ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Cui, D.S, Lipchock, J.M, Loria, J.P.
Deposit date:2019-04-16
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6OLV
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BU of 6olv by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, apo state
Descriptor: ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Cui, D.S, Lipchock, J.M, Loria, J.P.
Deposit date:2019-04-17
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6TYV
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BU of 6tyv by Molmil
Structure of Ku80 von Willebrand domain complexed with WRN Ku Binding Motif
Descriptor: THR-THR-ALA-GLN-GLN-ARG-LYS-CYS-PRO-GLU-TRP-MET-ASN, X-ray repair cross-complementing protein 5
Authors:Min, J, Pedersen, L.C.
Deposit date:2019-08-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.926111 Å)
Cite:Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
6OMR
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BU of 6omr by Molmil
Crystal structure of PtmU3 complexed with PTN substrate
Descriptor: ACETATE ION, MANGANESE (II) ION, PtmU3, ...
Authors:Liu, Y.C, Dong, L.B, Shen, B.
Deposit date:2019-04-19
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6OXR
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BU of 6oxr by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-82
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.035 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019

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