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6BKA
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BU of 6bka by Molmil
Crystal Structure of Nitronate Monooxygenase from Cyberlindnera saturnus
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Agniswamy, J, Fang, Y.-F, Weber, I.T.
Deposit date:2017-11-08
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of yeast nitronate monooxygenase from Cyberlindnera saturnus.
Proteins, 86, 2018
6BL4
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BU of 6bl4 by Molmil
Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate
Descriptor: 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2017-11-09
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
6BMF
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BU of 6bmf by Molmil
Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P.
Deposit date:2017-11-14
Release date:2017-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
5VIF
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BU of 5vif by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
6BNM
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BU of 6bnm by Molmil
Crystal Structure of the P-Rex2 PH domain
Descriptor: CHLORIDE ION, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 2 protein
Authors:Cash, J.N, Sharma, P.V, Tesmer, J.J.G.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of the pleckstrin homology domain of the RhoGEF P-Rex2 and its regulation by PIP3.
J.Struct.Biol., 1, 2019
4WFX
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BU of 4wfx by Molmil
Coxsackievirus B3 Polymerase - F232L Mutant - NaCl Crystal Form
Descriptor: RNA-directed RNA polymerase, SODIUM ION
Authors:Peersen, O.B, McDonald, S.M.
Deposit date:2014-09-17
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Structure-Function Relationships Underlying the Replication Fidelity of Viral RNA-Dependent RNA Polymerases.
J.Virol., 89, 2015
5VG0
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BU of 5vg0 by Molmil
Room temperature X-ray crystallographic structure of a Jonesia denitrificans lytic polysaccharide monooxygenase at 1.1 angstrom resolution.
Descriptor: COPPER (II) ION, Chitinase, PEROXIDE ION
Authors:Bacik, J.-P, Unkefer, C.J, Chen, J.C.H.
Deposit date:2017-04-10
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation.
Biochemistry, 56, 2017
4X1X
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BU of 4x1x by Molmil
Crystal structure of RHDVb P domain in complex with Lewis Y
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, VP1, ...
Authors:Leuthold, M.M, Hansman, G.S.
Deposit date:2014-11-25
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of a rabbit hemorrhagic disease virus binding to histo-blood group antigens.
J.Virol., 89, 2015
5VEY
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BU of 5vey by Molmil
Solution NMR structure of histone H2A-H2B mono-ubiquitylated at H2A Lys15 in complex with RNF169 (653-708)
Descriptor: E3 ubiquitin-protein ligase RNF169, Histone H2B type 1-J,Histone H2A type 1-B/E, Polyubiquitin-B
Authors:Hu, Q, Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2017-04-06
Release date:2017-05-17
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18.
Mol. Cell, 66, 2017
5VHX
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BU of 5vhx by Molmil
GluA2-1xGSG1L bound to ZK
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
Authors:Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
Deposit date:2017-04-13
Release date:2017-05-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes.
Neuron, 94, 2017
2PN8
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BU of 2pn8 by Molmil
Crystal structure of human peroxiredoxin 4 (thioredoxin peroxidase)
Descriptor: Peroxiredoxin-4
Authors:Pilka, E.S, Kavanagh, K.L, Cooper, C, von Delft, F, Sundstrom, M, Arrowsmith, C.A, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-04-24
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human peroxiredoxin 4 (thioredoxin peroxidase).
To be Published
5VJH
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BU of 5vjh by Molmil
Closed State CryoEM Reconstruction of Hsp104:ATPyS and FITC casein
Descriptor: FITC casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
Deposit date:2017-04-19
Release date:2017-07-05
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
4X7E
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BU of 4x7e by Molmil
Crystal structure of norovirus GII.10 P domain in complex with Nano-85
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Capsid protein, ...
Authors:Hansman, G.H, Koromyslova, A.D.
Deposit date:2014-12-09
Release date:2014-12-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Nanobody binding to a conserved epitope promotes norovirus particle disassembly.
J.Virol., 89, 2015
4X7Q
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BU of 4x7q by Molmil
PIM2 kinase in complex with Compound 1s
Descriptor: 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2
Authors:Marcotte, D.J, Silvian, L.F.
Deposit date:2014-12-09
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4WNC
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BU of 4wnc by Molmil
Crystal structure of human wild-type GAPDH at 1.99 angstroms resolution
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Garcin, E.D.
Deposit date:2014-10-11
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Dimer Interface Mutation in Glyceraldehyde-3-Phosphate Dehydrogenase Regulates Its Binding to AU-rich RNA.
J.Biol.Chem., 290, 2015
6C4C
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BU of 6c4c by Molmil
Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate
Descriptor: 3-NITROPROPANOIC ACID, GLYOXYLIC ACID, Isocitrate lyase 1, ...
Authors:Kreitler, D.F, Ray, S, Murkin, A.S, Gulick, A.M.
Deposit date:2018-01-11
Release date:2018-06-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.
ACS Chem. Biol., 13, 2018
5VO2
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BU of 5vo2 by Molmil
DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
Descriptor: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
6C5Z
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BU of 6c5z by Molmil
Human UDP-Glucose Dehydrogenase A225L substitutuion with UDP-glucose and NADH bound
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Gross, P.G, Sidlo, A.M, Walsh, R.M, Peeples, W.B, Wood, Z.A.
Deposit date:2018-01-17
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The A225L Substitution of hUGDH alters structure and function
To Be Published
6C8C
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BU of 6c8c by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06
Descriptor: 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain
Authors:Najeeb, J, Zhou, P.
Deposit date:2018-01-24
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
2PMF
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BU of 2pmf by Molmil
The crystal structure of a human glycyl-tRNA synthetase mutant
Descriptor: CHLORIDE ION, GLYCEROL, Glycyl-tRNA synthetase
Authors:Xie, W.
Deposit date:2007-04-21
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Long-range structural effects of a Charcot-Marie- Tooth disease-causing mutation in human glycyl-tRNA synthetase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6C9I
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BU of 6c9i by Molmil
Single-Particle reconstruction of DARP14 - A designed protein scaffold displaying ~17kDa DARPin proteins - Scaffold
Descriptor: DARP14 - Subunit A with DARPin, DARP14 - Subunit B
Authors:Gonen, S, Liu, Y, Yeates, T.O, Gonen, T.
Deposit date:2018-01-26
Release date:2018-03-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Near-atomic cryo-EM imaging of a small protein displayed on a designed scaffolding system.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2PJV
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BU of 2pjv by Molmil
solution structure of hiv-1 gp41 fusion domain bound to DPC micelle
Descriptor: Envelope glycoprotein
Authors:Li, Y, Tamm, L.K.
Deposit date:2007-04-16
Release date:2007-05-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and Plasticity of the Human Immunodeficiency Virus gp41 Fusion Domain in Lipid Micelles and Bilayers.
Biophys.J., 93, 2007
6C0M
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BU of 6c0m by Molmil
The synthesis, biological evaluation and structural insights of unsaturated 3-N-substituted sialic acids as probes of human parainfluenza virus-3 haemagglutinin-neuraminidase
Descriptor: 1,2-ETHANEDIOL, 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dirr, L, Ve, T, von Itzstein, M.
Deposit date:2018-01-01
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Insights into Human Parainfluenza Virus 3 Hemagglutinin-Neuraminidase Using Unsaturated 3- N-Substituted Sialic Acids as Probes.
ACS Chem. Biol., 13, 2018
2PME
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BU of 2pme by Molmil
The Apo crystal Structure of the glycyl-tRNA synthetase
Descriptor: Glycyl-tRNA synthetase
Authors:Xie, W.
Deposit date:2007-04-21
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Long-range structural effects of a Charcot-Marie- Tooth disease-causing mutation in human glycyl-tRNA synthetase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2POZ
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BU of 2poz by Molmil
Crystal structure of a putative dehydratase from Mesorhizobium loti
Descriptor: Putative dehydratase
Authors:Sugadev, R, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-04-27
Release date:2007-05-15
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of a putative dehydratase from Mesorhizobium loti.
To be Published

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