3H0Z
 
 | | Aurora A in complex with a bisanilinopyrimidine | | Descriptor: | 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6 | | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | | Deposit date: | 2009-04-10 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
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6HRG
 | | Structure of Igni18, a novel metallo hydrolase from the hyperthermophilic archaeon Ignicoccus hospitalis KIN4/I | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, UPF0173 metal-dependent hydrolase Igni_1254, ... | | Authors: | Smits, S.H, Streit, W.R, Jaeger, K.E, Hoeppner, A. | | Deposit date: | 2018-09-26 | | Release date: | 2019-10-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A promiscuous ancestral enzyme ́s structure unveils protein variable regions of the highly diverse metallo-beta-lactamase family.
Commun Biol, 4, 2021
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5ORL
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | | Authors: | McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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3DTC
 | | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | | Descriptor: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | Deposit date: | 2008-07-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
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3PP9
 | | 1.6 Angstrom resolution crystal structure of putative streptothricin acetyltransferase from Bacillus anthracis str. Ames in complex with acetyl coenzyme A | | Descriptor: | ACETYL COENZYME *A, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Edwards, A, Savchenko, A, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 1.6 Angstrom resolution crystal structure of putative streptothricin acetyltransferase from Bacillus anthracis str. Ames in complex with acetyl coenzyme A
To be Published
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4BKK
 | | The Respiratory Syncytial Virus nucleoprotein-RNA complex forms a left-handed helical nucleocapsid. | | Descriptor: | NUCLEOPROTEIN, RNA (161-MER) | | Authors: | Bakker, S.E, Duquerroy, S, Galloux, M, Loney, C, Conner, E, Eleouet, J.F, Rey, F.A, Bhella, D. | | Deposit date: | 2013-04-26 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY | | Cite: | The Respiratory Syncytial Virus Nucleoprotein-RNA Complex Forms a Left-Handed Helical Nucleocapsid.
J.Gen.Virol., 94, 2013
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3PZP
 | | Human DNA polymerase kappa extending opposite a cis-syn thymine dimer | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*CP*A)-3', 5'-D(*TP*TP*CP*CP*(TTD)P*GP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Vasquez-Del Carpio, R, Silverstein, T.D, Lone, S, Johnson, R.E, Prakash, S, Prakash, L, Aggarwal, A.K. | | Deposit date: | 2010-12-14 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.336 Å) | | Cite: | Role of human DNA polymerase kappa in extension opposite from a cis-syn thymine dimer.
J.Mol.Biol., 408, 2011
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1APL
 | | CRYSTAL STRUCTURE OF A MAT-ALPHA2 HOMEODOMAIN-OPERATOR COMPLEX SUGGESTS A GENERAL MODEL FOR HOMEODOMAIN-DNA INTERACTIONS | | Descriptor: | DNA (5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*TP*TP*CP*AP*TP*TP*TP*AP*C P*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*GP*TP*AP*AP*AP*TP*GP*AP*AP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MAT-ALPHA2 HOMEODOMAIN) | | Authors: | Wolberger, C, Vershon, A.K, Liu, B, Johnson, A.D, Pabo, C.O. | | Deposit date: | 1993-10-04 | | Release date: | 1993-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a MAT alpha 2 homeodomain-operator complex suggests a general model for homeodomain-DNA interactions.
Cell(Cambridge,Mass.), 67, 1991
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4EU8
 | | Succinyl-CoA:acetate CoA-transferase (AarCH6-S71A) in complex with CoA | | Descriptor: | CHLORIDE ION, COENZYME A, Succinyl-CoA:acetate coenzyme A transferase | | Authors: | Mullins, E.A, Kappock, T.J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.809 Å) | | Cite: | Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
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2Z8R
 | | Crystal structure of rhamnogalacturonan lyase YesW at 1.40 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, YesW protein | | Authors: | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-09-10 | | Release date: | 2007-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
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1B5F
 | | NATIVE CARDOSIN A FROM CYNARA CARDUNCULUS L. | | Descriptor: | PROTEIN (CARDOSIN A), alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Frazao, C, Bento, I, Carrondo, M.A. | | Deposit date: | 1999-01-06 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of cardosin A, a glycosylated and Arg-Gly-Asp-containing aspartic proteinase from the flowers of Cynara cardunculus L.
J.Biol.Chem., 274, 1999
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4FBX
 | | Complex structure of human protein kinase CK2 catalytic subunit crystallized in the presence of a bisubstrate inhibitor | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, bisubstrate inhibitor | | Authors: | Enkvist, E, Viht, K, Bischoff, N, Vahter, J, Saaver, S, Raidaru, G, Issinger, O.-G, Niefind, K, Uri, A. | | Deposit date: | 2012-05-23 | | Release date: | 2012-10-17 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | A subnanomolar fluorescent probe for protein kinase CK2 interaction studies.
Org.Biomol.Chem., 10, 2012
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3EYV
 | | Anti-Lewis Y Fab fragment with Lewis Y antigen in the presence of zinc ions | | Descriptor: | GLYCEROL, ZINC ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Farrugia, W, Scott, A.M, Ramsland, P.A. | | Deposit date: | 2008-10-22 | | Release date: | 2009-11-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A possible role for metallic ions in the carbohydrate cluster recognition displayed by a lewis y specific antibody.
Plos One, 4, 2009
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3H10
 | | Aurora A inhibitor complex | | Descriptor: | 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6 | | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | | Deposit date: | 2009-04-10 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
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3NKY
 | | Structure of a mutant P44S of Foot-and-mouth disease Virus RNA-dependent RNA polymerase | | Descriptor: | 3D polymerase, MAGNESIUM ION | | Authors: | Agudo, R, Ferrer-Orta, C, Arias, A, Perez-Luque, R, Verdaguer, N, Domingo, E. | | Deposit date: | 2010-06-21 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A multi-step process of viral adaptation to a mutagenic nucleoside analogue by modulation of transition types leads to extinction-escape.
Plos Pathog., 6, 2010
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3H2G
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7Z77
 | | Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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4P76
 | | Cellular response to a crystal-forming protein | | Descriptor: | Photoconvertible fluorescent protein, SODIUM ION | | Authors: | Tsutsui, H, Jinno, Y, Shoda, K, Tomita, A, Matsuda, M, Yamashita, E, Katayama, H, Nakagawa, A, Miyawaki, A. | | Deposit date: | 2014-03-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A diffraction-quality protein crystal processed as an autophagic cargo
Mol.Cell, 58, 2015
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3GKY
 | | The Structural Basis of an ER Stress-Associated Bottleneck in a Protein Folding Landscape | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Liu, M, Wan, Z.L, Chu, Y.C, Alddin, H, Klaproth, B, Weiss, M.A. | | Deposit date: | 2009-03-11 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a "nonfoldable" insulin: IMPAIRED FOLDING EFFICIENCY DESPITE NATIVE ACTIVITY.
J.Biol.Chem., 284, 2009
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7Z76
 | | Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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7Z78
 | | Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one, Probable global transcription activator SNF2L2, ZINC ION | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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4C93
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4BN1
 | | Crystal structure of V174M mutant of Aurora-A kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, CALCIUM ION | | Authors: | Bibby, R.A, Bayliss, R. | | Deposit date: | 2013-05-13 | | Release date: | 2014-03-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Insights Into Aurora-A Kinase Activation Using Unnatural Amino Acids Incorporated by Chemical Modification.
Acs Chem.Biol., 8, 2013
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4EQR
 | | Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR | | Descriptor: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | | Authors: | Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-19 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
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4EU3
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