3MB6
 
 | | Human CK2 catalytic domain in complex with a difurane derivative inhibitor (CPA) | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | | Authors: | Reiser, J.-B, Prudent, R, Claude, C. | | Deposit date: | 2010-03-25 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
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5BTL
 | | Crystal structure of a topoisomerase II complex | | Descriptor: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | | Deposit date: | 2015-06-03 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4O15
 | | The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618 | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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5BS8
 | | Crystal structure of a topoisomerase II complex | | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | | Deposit date: | 2015-06-01 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5CQO
 | | GTB mutant with mercury - E303D | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-21 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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5CQL
 | | GTB mutant with mercury - E303A | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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1UZ0
 | | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with Glc-4Glc-3Glc-4Glc | | Descriptor: | CALCIUM ION, CELLULASE B, CHLORIDE ION, ... | | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
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4CAS
 | | Serial femtosecond crystallography structure of a photosynthetic reaction center | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
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1UYY
 | | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellotriose | | Descriptor: | CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-03-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
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7EAO
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8OWA
 | | SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-4 | | Descriptor: | ACETYL GROUP, SODIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, ... | | Authors: | Hjorth-Jensen, S.J, Konrad, D.B, Quistgaard, E.M.H, Hansen, L.C, Novak, A, Chu, H, Jurasek, M, Zimmermann, T, Andersen, J.L, Baran, P.S, Nissen, P, Trauner, D. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Photoswitchable inhibitors of the sarco(endo)plasmic calcium pump
To Be Published
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2XAC
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5B23
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5UPJ
 | | HIV-2 PROTEASE/U99283 COMPLEX | | Descriptor: | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE, HIV-2 PROTEASE | | Authors: | Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C. | | Deposit date: | 1996-12-10 | | Release date: | 1997-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors.
J.Med.Chem., 38, 1995
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6CJW
 | | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | | Descriptor: | 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | Authors: | Han, Q. | | Deposit date: | 2018-02-27 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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5DPL
 | | The structure of PKMT2 from Rickettsia typhi in complex with AdoHcy | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, protein lysine methyltransferase 2 | | Authors: | Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K. | | Deposit date: | 2015-09-12 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
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6MT4
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5CMI
 | | GTA mutant without mercury - E303D | | Descriptor: | Histo-blood group ABO system transferase | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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2XSC
 | | Crystal structure of the cell-binding B oligomer of verotoxin-1 from E. coli | | Descriptor: | SHIGA-LIKE TOXIN 1 SUBUNIT B, ZINC ION | | Authors: | Stein, P.E, Boodhoo, A, Tyrrell, G.J, Brunton, J.L, Oeffner, R.D, Bunkoczi, G, Read, R.J. | | Deposit date: | 2010-09-27 | | Release date: | 2010-10-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Crystal Structure of the Cell-Binding B Oligomer of Verotoxin-1 from E. Coli.
Nature, 355, 1992
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1LED
 | | STRUCTURES OF THE LECTIN IV OF GRIFFONIA SIMPLICIFOLIA AND ITS COMPLEX WITH THE LEWIS B HUMAN BLOOD GROUP DETERMINANT AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Delbaere, L, Vandonselaar, M, Quail, J. | | Deposit date: | 1992-12-17 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the lectin IV of Griffonia simplicifolia and its complex with the Lewis b human blood group determinant at 2.0 A resolution.
J.Mol.Biol., 230, 1993
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7XRN
 | | Ethanolamine ammonia-lyase complexed with AdoMeCbl in the presence of substrate | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, COBALAMIN, ... | | Authors: | Shibata, N, Toraya, T. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
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7XRK
 | | Diol dehydratase complexed with AdoMeCbl | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, CALCIUM ION, COBALAMIN, ... | | Authors: | Shibata, N, Toraya, T. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
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7XRM
 | | Ethanolamine ammonia-lyase complexed with AdoMeCbl | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, COBALAMIN, ... | | Authors: | Shibata, N, Toraya, T. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
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7XRL
 | | Diol dehydratase complexed with AdoMeCbl and 1,2-propanediol | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, CALCIUM ION, ... | | Authors: | Shibata, N, Toraya, T. | | Deposit date: | 2022-05-10 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
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4CEI
 | | Crystal structure of ADPNP-bound AddAB with a forked DNA substrate | | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | | Deposit date: | 2013-11-11 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
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