6L90
 
 | | Crystal structure of ugt transferase enzyme | | Descriptor: | Glycosyltransferase, SULFATE ION | | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2019-11-07 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 2020
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6L6E
 | | Human PDE5 catalytic core in complex with avanafil | | Descriptor: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Hsieh, C.M, Chan, N.L. | | Deposit date: | 2019-10-28 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding.
J.Med.Chem., 63, 2020
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6L8X
 | | Crystal structure of Siraitia grosvenorii ugt transferase mutant2 | | Descriptor: | Glycosyltransferase | | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2019-11-07 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 10, 2020
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3ML5
 | | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 7, ZINC ION | | Authors: | Di Fiore, A, Truppo, E, Supuran, C.T, Alterio, V, Dathan, N, Bootorabi, F, Parkkila, S, Monti, S.M, De Simone, G. | | Deposit date: | 2010-04-16 | | Release date: | 2011-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide
Bioorg.Med.Chem.Lett., 20, 2010
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6M05
 | | Trimolecular G-quadruplex | | Descriptor: | DNA (5'-D(*GP*TP*TP*AP*GP*G)-3') | | Authors: | Jing, H.T, Fu, W.Q, Zhang, N. | | Deposit date: | 2020-02-20 | | Release date: | 2021-01-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structural study on the self-trimerization of d(GTTAGG) into a dynamic trimolecular G-quadruplex assembly preferentially in Na+ solution with a moderate K+ tolerance.
Nucleic Acids Res., 49, 2021
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1M6I
 | | Crystal Structure of Apoptosis Inducing Factor (AIF) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Programmed cell death protein 8 | | Authors: | Ye, H, Cande, C, Stephanou, N.C, Jiang, S, Gurbuxani, S, Larochette, N, Daugas, E, Garrido, C, Kroemer, G, Wu, H. | | Deposit date: | 2002-07-16 | | Release date: | 2002-08-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DNA binding is required for the apoptogenic action of apoptosis inducing factor.
Nat.Struct.Biol., 9, 2002
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2ZTC
 | | MtRuvA Form II | | Descriptor: | GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA | | Authors: | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2008-10-01 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystallographic and modelling studies on Mycobacterium tuberculosis RuvA Additional role of RuvB-binding domain and inter species variability
Biochim.Biophys.Acta, 1794, 2009
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5YVC
 | | Structure of CaMKK2 in complex with CKI-012 | | Descriptor: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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4G0V
 | | Human topoisomerase iibeta in complex with DNA and mitoxantrone | | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | | Deposit date: | 2012-07-10 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.548 Å) | | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs
Nucleic Acids Res., 41, 2013
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3QX3
 | | Human topoisomerase IIbeta in complex with DNA and etoposide | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Wu, C.C, Li, T.K, Farh, L, Lin, L.Y, Lin, T.S, Yu, Y.J, Yen, T.J, Chiang, C.W, Chan, N.L. | | Deposit date: | 2011-03-01 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | Structural basis of type II topoisomerase inhibition by the anticancer drug etoposide
Science, 333, 2011
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4GIJ
 | | Crystal Structure of Pseudouridine Monophosphate Glycosidase Complexed with Sulfate | | Descriptor: | MANGANESE (II) ION, Pseudouridine-5'-phosphate glycosidase, SULFATE ION | | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Biochemistry, 51, 2012
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4ABN
 | | Crystal structure of full length mouse Strap (TTC5) | | Descriptor: | 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5 | | Authors: | Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4ENX
 | | Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one | | Descriptor: | (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-13 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
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1RHB
 | | WATER DEPENDENT DOMAIN MOTION AND FLEXIBILITY IN RIBONUCLEASE A AND THE INVARIANT FEATURES IN ITS HYDRATION SHELL. AN X-RAY STUDY OF TWO LOW HUMIDITY CRYSTAL FORMS OF THE ENZYME | | Descriptor: | RIBONUCLEASE A | | Authors: | Radha Kishan, K.V, Chandra, N.R, Sudarsanakumar, C, Suguna, K, Vijayan, M. | | Deposit date: | 1994-11-13 | | Release date: | 1995-02-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Water-dependent domain motion and flexibility in ribonuclease A and the invariant features in its hydration shell. An X-ray study of two low-humidity crystal forms of the enzyme.
Acta Crystallogr.,Sect.D, 51, 1995
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1RHA
 | | WATER DEPENDENT DOMAIN MOTION AND FLEXIBILITY IN RIBONUCLEASE A AND THE INVARIANT FEATURES IN ITS HYDRATION SHELL. AN X-RAY STUDY OF TWO LOW HUMIDITY CRYSTAL FORMS OF THE ENZYME | | Descriptor: | RIBONUCLEASE A | | Authors: | Radha Kishan, K.V, Chandra, N.R, Sudarsanakumar, C, Suguna, K, Vijayan, M. | | Deposit date: | 1994-11-13 | | Release date: | 1995-02-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Water-dependent domain motion and flexibility in ribonuclease A and the invariant features in its hydration shell. An X-ray study of two low-humidity crystal forms of the enzyme.
Acta Crystallogr.,Sect.D, 51, 1995
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3UA0
 | | N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease | | Descriptor: | Fibroin heavy chain | | Authors: | He, Y.-X, Zhang, N.-N, Chen, B.-Y, Li, W.-F, Chen, Y.-X, Zhou, C.-Z. | | Deposit date: | 2011-10-20 | | Release date: | 2012-03-28 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease.
J.Mol.Biol., 418, 2012
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1MO4
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1MO5
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4GIM
 | | Crystal Structure of Pseudouridine Monophosphate Glycosidase Complexed with Pseudouridine 5'-phosphate | | Descriptor: | MANGANESE (II) ION, PSEUDOURIDINE-5'-MONOPHOSPHATE, Pseudouridine-5'-phosphate glycosidase | | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Biochemistry, 51, 2012
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4GIK
 | | Crystal Structure of Pseudouridine Monophosphate Glycosidase/Linear R5P Adduct | | Descriptor: | MANGANESE (II) ION, Pseudouridine-5'-phosphate glycosidase, RIBOSE-5-PHOSPHATE | | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Biochemistry, 51, 2012
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2ZTD
 | | MtRuvA Form III | | Descriptor: | GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA | | Authors: | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2008-10-01 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic and modelling studies on Mycobacterium tuberculosis RuvA Additional role of RuvB-binding domain and inter species variability
Biochim.Biophys.Acta, 1794, 2009
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6JZM
 | | The intermediate forming O-C10 bond formation in AsqJ-catalyzed epoxidation | | Descriptor: | (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione, FE (III) ION, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | | Authors: | Liao, H.J, Chan, N.L. | | Deposit date: | 2019-05-02 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The intermediate forming O-C10 bond formation in AsqJ-catalyzed epoxidation
J.Am.Chem.Soc., 2020
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6KD9
 | | Binding pose 1 of 2-CF3 bound AsqJ complex | | Descriptor: | (3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione, FE (III) ION, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | | Authors: | Liao, H.J, Chan, N.L. | | Deposit date: | 2019-07-01 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Binding pose 1 of 2-CF3 bound AsqJ complex
J.Am.Chem.Soc., 2020
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2MUX
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4HCQ
 | | Crystal structure of GLMU from mycobacterium tuberculosis in complex with glucosamine-1-phosphate | | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein GlmU, COBALT (II) ION, ... | | Authors: | Jagtap, P.K.A, Verma, S.K, Vithani, N. | | Deposit date: | 2012-10-01 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures identify an atypical two-metal-ion mechanism for uridyltransfer in GlmU: its significance to sugar nucleotidyl transferases
J.Mol.Biol., 425, 2013
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