6PON
 
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2XB4
 | | Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas | | Descriptor: | ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION | | Authors: | Mukhopadhyay, A, Kladova, A.V, Gavel, O.Y, Calvete, J.J, Shnyrov, V.L, Moura, I, Moura, J.J.G, Bursakov, S.A, Romao, M.J, Trincao, J. | | Deposit date: | 2010-04-05 | | Release date: | 2010-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria.
J.Biol.Inorg.Chem., 16, 2011
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2WTM
 | | Est1E from Butyrivibrio proteoclasticus | | Descriptor: | EST1E, GLYCEROL, PHOSPHATE ION | | Authors: | Goldstone, D.C, Arcus, V.L. | | Deposit date: | 2009-09-17 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
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6HEV
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT061 | | Descriptor: | 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-08-20 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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2KG7
 | | Structure and features of the complex formed by the tuberculosis virulence factors Rv0287 and Rv0288 | | Descriptor: | ESAT-6-like protein esxH, Uncharacterized protein esxG (PE family protein) | | Authors: | Ilghari, D, Kirsty, L.L, Waters, L.C, Veverka, V.L, Philip, R.S, Carr, M.D. | | Deposit date: | 2009-03-06 | | Release date: | 2010-03-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the M. tuberculosis EsxG-EsxH complex: functional implications and comparisons with other M. tuberculosis Esx family complexes
J.Biol.Chem., 2011
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6HL1
 | | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | | Descriptor: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | | Deposit date: | 2018-09-10 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
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6Q0C
 | | MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with undamaged dG | | Descriptor: | 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, CALCIUM ION, ... | | Authors: | O'Shea Murray, V.L, Russelburg, L.P, Horvath, M.P, David, S.S. | | Deposit date: | 2019-08-01 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Acs Chem.Biol., 15, 2020
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2IDT
 | | Structure of M98Q mutant of amicyanin, Cu(II) | | Descriptor: | Amicyanin, COPPER (II) ION | | Authors: | Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L. | | Deposit date: | 2006-09-15 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties
Biochemistry, 46, 2007
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1C9H
 | | CRYSTAL STRUCTURE OF FKBP12.6 IN COMPLEX WITH RAPAMYCIN | | Descriptor: | FKBP12.6, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Deivanayagam, C.C.S, Carson, M, Thotakura, A, Narayana, S.V.L, Chodavarapu, C.S. | | Deposit date: | 1999-08-02 | | Release date: | 2000-08-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of FKBP12.6 in complex with rapamycin.
Acta Crystallogr.,Sect.D, 56, 2000
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2J57
 | | X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- quinol in complex with amicyanin. | | Descriptor: | AMICYANIN, COPPER (II) ION, METHYLAMINE DEHYDROGENASE HEAVY CHAIN, ... | | Authors: | Pearson, A.R, Pahl, R, Davidson, V.L, Wilmot, C.M. | | Deposit date: | 2006-09-12 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Tracking X-Ray-Derived Redox Changes in Crystals of a Methylamine Dehydrogenase/Amicyanin Complex Using Single-Crystal Uv/Vis Microspectrophotometry.
J.Synchrotron Radiat., 14, 2007
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6PYM
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2IDQ
 | | Structure of M98A mutant of amicyanin, Cu(II) | | Descriptor: | Amicyanin, COPPER (II) ION, PHOSPHATE ION | | Authors: | Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L. | | Deposit date: | 2006-09-15 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties
Biochemistry, 46, 2007
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6Q7E
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14 | | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.059 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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6Q7F
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18 | | Descriptor: | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.204 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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1ALW
 | | INHIBITOR AND CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN | | Descriptor: | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID, CALCIUM ION, CALPAIN | | Authors: | Narayana, S.V.L, Lin, G. | | Deposit date: | 1997-06-04 | | Release date: | 1998-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
Nat.Struct.Biol., 4, 1997
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2UVM
 | | Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate | | Descriptor: | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION | | Authors: | Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L. | | Deposit date: | 2007-03-12 | | Release date: | 2007-04-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
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6HX8
 | | Tubulin-STX3451 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Dohle, W, Prota, A.E, Menchon, G, Hamel, E, Steinmetz, M.O, Potter, B.V.L. | | Deposit date: | 2018-10-16 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Tetrahydroisoquinoline Sulfamates as Potent Microtubule Disruptors: Synthesis, Antiproliferative and Antitubulin Activity of Dichlorobenzyl-Based Derivatives, and a Tubulin Cocrystal Structure.
ACS Omega, 4, 2019
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4YO4
 | | Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine | | Descriptor: | ACETATE ION, CHLORIDE ION, Death-associated protein kinase 1, ... | | Authors: | Grum-Tokars, V.L, Roy, S.M, Minasov, G, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2015-03-11 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments
To Be Published
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1ALV
 | | CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN | | Descriptor: | CALCIUM ION, CALPAIN | | Authors: | Narayana, S.V.L, Lin, G, Chattopadhyay, D, Maki, M. | | Deposit date: | 1997-06-03 | | Release date: | 1998-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
Nat.Struct.Biol., 4, 1997
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6Q12
 | | Structure of pro-Esp mutant- S66V | | Descriptor: | Glutamyl endopeptidase | | Authors: | Manne, K, Narayana, S.V.L. | | Deposit date: | 2019-08-02 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the role of the N-terminus in the activation and function of extracellular serine protease from Staphylococcus epidermidis.
Acta Crystallogr D Struct Biol, 76, 2020
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2H3X
 | | Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes Faecalis (Form 3) | | Descriptor: | Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION | | Authors: | Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S. | | Deposit date: | 2006-05-23 | | Release date: | 2006-11-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
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6Q7C
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.049 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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6PT8
 | | Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid | | Descriptor: | ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ... | | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I. | | Deposit date: | 2019-07-15 | | Release date: | 2020-07-22 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
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4YNB
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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4YPD
 | | Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment 4-methylpyridazine | | Descriptor: | 4-methylpyridazine, CHLORIDE ION, Death-associated protein kinase 1, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2015-03-12 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments
To Be Published
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