5KCI
 
 | | Crystal Structure of HTC1 | | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | | Authors: | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | | Deposit date: | 2016-06-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | Determining crystal structures through crowdsourcing and coursework.
Nat Commun, 7, 2016
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2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | Deposit date: | 2010-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
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4V5E
 | | Insights into translational termination from the structure of RF2 bound to the ribosome | | Descriptor: | 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Weixlbaumer, A, Jin, H, Neubauer, C, Voorhees, R.M, Petry, S, Kelley, A.C, Ramakrishnan, V. | | Deposit date: | 2009-04-30 | | Release date: | 2014-07-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Insights Into Translational Termination from the Structure of Rf2 Bound to the Ribosome.
Science, 322, 2008
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5VT1
 | | Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor | | Descriptor: | 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION | | Authors: | Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-05-15 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
Molecules, 23, 2018
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2W8X
 | | Structure of the tick ion-channel modulator Ra-KLP | | Descriptor: | ACETATE ION, GLYCEROL, IMIDAZOLE, ... | | Authors: | Paesen, G.C, Siebold, C, Dallas, M, Peers, C, Harlos, K, Nuttall, P.A, Nunn, M.A, Stuart, D.I, Esnouf, R.M. | | Deposit date: | 2009-01-20 | | Release date: | 2009-05-05 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An Ion-Channel Modulator from the Saliva of the Brown Ear Tick Has a Highly Modified Kunitz/Bpti Structure.
J.Mol.Biol., 389, 2009
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8J6T
 | | Cryo-EM structure of the double CAF-1 bound right-handed Di-tetrasome | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, Z.Y, Xu, R.M. | | Deposit date: | 2023-04-26 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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8J6S
 | | Cryo-EM structure of the single CAF-1 bound right-handed Di-tetrasome | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, Z.Y, Xu, R.M. | | Deposit date: | 2023-04-26 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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1CXF
 | | COMPLEX OF A (D229N/E257Q) DOUBLE MUTANT CGTASE FROM BACILLUS CIRCULANS STRAIN 251 WITH MALTOTETRAOSE AT 120 K AND PH 9.1 OBTAINED AFTER SOAKING THE CRYSTAL WITH ALPHA-CYCLODEXTRIN | | Descriptor: | CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ... | | Authors: | Knegtel, R.M.A, Strokopytov, B.V, Dijkstra, B.W. | | Deposit date: | 1995-07-28 | | Release date: | 1995-12-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic studies of the interaction of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 with natural substrates and products.
J.Biol.Chem., 270, 1995
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1CXI
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8AYB
 | | anammox-specific FabZ from Scalindua brodae | | Descriptor: | Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase | | Authors: | Dietl, A, Barends, T.R.M. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference.
J.Biol.Chem., 299, 2023
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2WGH
 | | Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | | Deposit date: | 2009-04-19 | | Release date: | 2009-05-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
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8AFI
 | | GABARAP in complex with LIR motif of HsATG3 | | Descriptor: | ACETATE ION, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ... | | Authors: | Farnung, J, Benoit, R.M, Corn, J.E, Bode, J.W. | | Deposit date: | 2022-07-18 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Semisynthetic LC3 Probes for Autophagy Pathways Reveal a Noncanonical LC3 Interacting Region Motif Crucial for the Enzymatic Activity of Human ATG3.
Acs Cent.Sci., 9, 2023
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5FGT
 | | Thaumatin solved by native sulphur-SAD using free-electron laser radiation | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.K, Boutet, S, Schlichting, I. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-08 | | Last modified: | 2018-11-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.
Iucrj, 3, 2016
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5FGX
 | | Thaumatin solved by native sulphur SAD using synchrotron radiation | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.J, Boutet, S, Schlichting, I. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-08 | | Method: | X-RAY DIFFRACTION (2.134 Å) | | Cite: | Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.
Iucrj, 3, 2016
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1C0U
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934 | | Descriptor: | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-19 | | Release date: | 2000-07-19 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
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1C0T
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326 | | Descriptor: | (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-19 | | Release date: | 2000-07-19 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
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6YRF
 | | Vip3Bc1 tetramer | | Descriptor: | Vegetative insecticidal protein | | Authors: | Thompson, R.F, Byrne, M.J, Iadanza, M.I, Arribas Perez, M, Maskell, D.P, George, R.M, Hesketh, E.L, Beales, P.A, Zack, M.D, Berry, C. | | Deposit date: | 2020-04-20 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structures of an insecticidal Bt toxin reveal its mechanism of action on the membrane.
Nat Commun, 12, 2021
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8YJM
 | | Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera | | Descriptor: | DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ... | | Authors: | Gan, S.L, Yang, W.S, Xu, R.M. | | Deposit date: | 2024-03-02 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (4.15 Å) | | Cite: | Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
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8YJF
 | | Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and an H2A-H2B dimer | | Descriptor: | DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2A type 1-D, ... | | Authors: | Gan, S.L, Yang, W.S, Xu, R.M. | | Deposit date: | 2024-03-01 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
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6YT3
 | | Structure of the MoStoNano fusion protein | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Molybdenum storage protein subunit alpha, ... | | Authors: | Benoit, R.M, Bierig, T, Collu, C, Engilberge, S, Olieric, V. | | Deposit date: | 2020-04-23 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Chimeric single alpha-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology.
Structure, 30, 2022
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6YSN
 | | Human TRPC5 in complex with Pico145 (HC-608) | | Descriptor: | 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione, Maltose/maltodextrin-binding periplasmic protein,Short transient receptor potential channel 5 | | Authors: | Wright, D.J, Johnson, R.M, Muench, S.P, Bon, R.S. | | Deposit date: | 2020-04-22 | | Release date: | 2020-12-02 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Human TRPC5 structures reveal interaction of a xanthine-based TRPC1/4/5 inhibitor with a conserved lipid binding site.
Commun Biol, 3, 2020
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9ICD
 | | CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES | | Descriptor: | ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M. | | Deposit date: | 1991-07-29 | | Release date: | 1991-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes.
Biochemistry, 30, 1991
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1XEE
 | | Solution structure of the Chemotaxis Inhibitory Protein of Staphylococcus aureus | | Descriptor: | chemotaxis-inhibiting protein CHIPS | | Authors: | Haas, P.J, de Haas, C.J, Poppelier, M.J, van Kessel, K.P, van Strijp, J.A, Dijkstra, K, Scheek, R.M, Fan, H, Kruijtzer, J.A, Liskamp, R.M, Kemmink, J. | | Deposit date: | 2004-09-10 | | Release date: | 2005-09-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The structure of the C5a receptor-blocking domain of chemotaxis inhibitory protein of Staphylococcus aureus is related to a group of immune evasive molecules
J.Mol.Biol., 353, 2005
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1IDE
 | | ISOCITRATE DEHYDROGENASE Y160F MUTANT STEADY-STATE INTERMEDIATE COMPLEX (LAUE DETERMINATION) | | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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1IDC
 | | ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY | | Descriptor: | 2-OXALOSUCCINIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION | | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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