3NHZ
 
 | | Structure of N-terminal Domain of MtrA | | Descriptor: | MAGNESIUM ION, Two component system transcriptional regulator mtrA | | Authors: | Barbieri, C.M, Mack, T.R, Robinson, V.L, Miller, M.T, Stock, A.M. | | Deposit date: | 2010-06-14 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulation of response regulator autophosphorylation through interdomain contacts.
J.Biol.Chem., 285, 2010
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6Q7D
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | | Descriptor: | 3-[[4-imidazol-1-yl-6-(4-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 (0.978 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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6PTF
 | | Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State | | Descriptor: | UPF0284 protein MJ1598 | | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2019-07-15 | | Release date: | 2020-07-22 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
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6PU6
 | | CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide | | Descriptor: | ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ... | | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2019-07-17 | | Release date: | 2020-07-22 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
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6QEL
 | | E. coli DnaBC apo complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ... | | Authors: | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019
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2X7T
 | | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | | Deposit date: | 2010-03-03 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
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6Q24
 | | Structure of pro-Esp mutant- S235A | | Descriptor: | Glutamyl endopeptidase | | Authors: | Manne, K, Narayana, S.V.L. | | Deposit date: | 2019-08-06 | | Release date: | 2019-08-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 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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4YMG
 | | Crystal structure of SAM-bound Podospora anserina methyltransferase PaMTH1 | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Putative SAM-dependent O-methyltranferase, ... | | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | | Deposit date: | 2015-03-06 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
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6Q7G
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | | Descriptor: | 3-[(4-imidazol-1-yl-6-morpholin-4-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 (1.047 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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4YO8
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol | | Descriptor: | Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-11 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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3OZG
 | | Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with S-SerMe-ImmH phosphonate | | Descriptor: | Hypoxanthine-guanine-xanthine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Ho, M, Hazleton, K.Z, Almo, S.C, Schramm, V.L. | | Deposit date: | 2010-09-24 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Acyclic Immucillin Phosphonates: Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase.
Chem.Biol., 19, 2012
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1BZY
 | | HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR | | Descriptor: | HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER, ... | | Authors: | Shi, W, Li, C, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C. | | Deposit date: | 1998-11-05 | | Release date: | 1999-06-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0 A structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with a transition-state analog inhibitor.
Nat.Struct.Biol., 6, 1999
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4YML
 | | Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A | | Descriptor: | (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, PHOSPHATE ION | | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-06 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Tight binding enantiomers of pre-clinical drug candidates.
Bioorg.Med.Chem., 23, 2015
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6HET
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT055 | | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 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 (1.208 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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6HEY
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATNK002 | | Descriptor: | 3-[(4,6-dipyridin-3-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: | 2018-08-20 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.367 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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3OZB
 | | Crystal Structure of 5'-methylthioinosine phosphorylase from Psedomonas aeruginosa in complex with hypoxanthine | | Descriptor: | HYPOXANTHINE, Methylthioadenosine phosphorylase, SULFATE ION | | Authors: | Ho, M, Guan, R, Almo, S.C, Schramm, V.L. | | Deposit date: | 2010-09-24 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Methylthioinosine phosphorylase from Pseudomonas aeruginosa. Structure and annotation of a novel enzyme in quorum sensing.
Biochemistry, 50, 2011
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4YMH
 | | Crystal structure of SAH-bound Podospora anserina methyltransferase PaMTH1 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative SAM-dependent O-methyltranferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | | Deposit date: | 2015-03-06 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.876 Å) | | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
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2WD2
 | | A chimeric microtubule disruptor with efficacy on a taxane resistant cell line | | Descriptor: | 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | | Authors: | Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. | | Deposit date: | 2009-03-19 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Chimeric Microtubule Disruptors.
Chem.Commun.(Camb.), 46, 2010
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6HEW
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069 | | Descriptor: | 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-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 (1.268 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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1AQD
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4ECE
 | | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with guanine | | Descriptor: | GUANINE, Purine nucleoside phosphorylase | | Authors: | Haapalainen, A.M, Ho, M.C, Suarez, J.J, Almo, S.C, Schramm, V.L. | | Deposit date: | 2012-03-26 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalytic Site Conformations in Human PNP by (19)F-NMR and Crystallography.
Chem.Biol., 20, 2013
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3NNN
 | | BeF3 Activated DrrD Receiver Domain | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DNA BINDING RESPONSE REGULATOR D, MAGNESIUM ION | | Authors: | Robinson, V.L, Stock, A.M. | | Deposit date: | 2010-06-23 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Regulation of response regulator autophosphorylation through interdomain contacts.
J.Biol.Chem., 285, 2010
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4EB8
 | | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with DADMe-ImmG and phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, ... | | Authors: | Ho, M.C, Haapalainen, A.M, Suarez, J.J, Almo, S.C, Schramm, V.L. | | Deposit date: | 2012-03-23 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic Site Conformations in Human PNP by (19)F-NMR and Crystallography.
Chem.Biol., 20, 2013
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2X7S
 | | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | | Descriptor: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | | Deposit date: | 2010-03-03 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors.
Biochemistry, 49, 2010
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2X6P
 | | Crystal Structure of Coil Ser L19C | | Descriptor: | COIL SER L19C, ZINC ION | | Authors: | Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2010-02-18 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Comparisons of Apo- and Metalated Three-Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides.
J.Am.Chem.Soc., 132, 2010
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