5NKD
 
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i | | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.408 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NBQ
 | | The structure of the tripartite complex between OspE, the C-terminal domains of factor H and C3dg | | Descriptor: | Complement C3, Complement factor H, Outer surface protein E, ... | | Authors: | Kolodziejczyk, R, Mikula, K.M, Kotila, T.M, Postis, V.L.G, Sakari, J.T, Meri, T. | | Deposit date: | 2017-03-02 | | Release date: | 2017-12-06 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Crystal structure of a tripartite complex between C3dg, C-terminal domains of factor H and OspE of Borrelia burgdorferi.
PLoS ONE, 12, 2017
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5NPU
 | | Inferred ancestral pyruvate decarboxylase | | Descriptor: | ANC27, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | | Deposit date: | 2017-04-19 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4KG2
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime | | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | | Deposit date: | 2013-04-28 | | Release date: | 2014-10-29 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Complexed structures of AmpC beta-lactamase
To be Published
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5MZ7
 | | Crystal Structure of the third PDZ domain from the synaptic protein PSD-95 with incorporated Azidohomoalanine | | Descriptor: | Disks large homolog 4 | | Authors: | Kudlinzki, D, Lehner, F, Witt, K, Linhard, V.L, Silvers, R, Schwalbe, H. | | Deposit date: | 2017-01-31 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Impact of Azidohomoalanine Incorporation on Protein Structure and Ligand Binding.
Chembiochem, 18, 2017
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6AYR
 | | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2017-09-08 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
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2F68
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2F7X
 | | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
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6D3L
 | | Crystal structure of unphosphorylated human PKR | | Descriptor: | Interferon-induced, double-stranded RNA-activated protein kinase | | Authors: | Erlandsen, H, Mayo, C, Robinson, V.L, Cole, J.L. | | Deposit date: | 2018-04-16 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
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4NOV
 | | Xsa43E, a GH43 family enzyme from Butyrivibrio proteoclasticus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Xylosidase/arabinofuranosidase Xsa43E | | Authors: | Till, M, Arcus, V.L. | | Deposit date: | 2013-11-20 | | Release date: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural analysis of the GH43 enzyme Xsa43E from Butyrivibrio proteoclasticus
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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6D3K
 | | Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Interferon-induced, double-stranded RNA-activated protein kinase, ... | | Authors: | Erlandsen, H, Mayo, C.B, Robinson, V.L, Cole, J.L. | | Deposit date: | 2018-04-16 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
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2FLK
 | | Crystal structure of CheY in complex with CheZ(200-214) solved from a F432 crystal grown in CAPS (pH 10.5) | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-06 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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4KG6
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2FMF
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2FMK
 | | Crystal structure of Mg2+ and BeF3- bound CheY in complex with CheZ 200-214 solved from a P2(1)2(1)2 crystal grown in MES (pH 6.0) | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-09 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation
J.Mol.Biol., 359, 2006
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2FE1
 | | Crystal Structure of PAE0151 from Pyrobaculum aerophilum | | Descriptor: | CALCIUM ION, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Bunker, R.D, Baker, E.N, Arcus, V.L. | | Deposit date: | 2005-12-15 | | Release date: | 2005-12-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of PAE0151 from Pyrobaculum aerophilum, a PIN-domain (VapC) protein from a toxin-antitoxin operon.
Proteins, 72, 2008
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2FMH
 | | Crystal structure of Mg2+ and BeF3- bound CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Tris (pH 8.4) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-09 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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2F7Z
 | | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
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2FKA
 | | Crystal structure of Mg(2+) and BeF(3)(-)-bound CheY in complex with CheZ(200-214) solved from a F432 crystal grown in CAPS (pH 10.5) | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-04 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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2FLW
 | | Crystal structure of Mg2+ and BeF3- ound CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Hepes (pH 7.5) | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-06 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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2FMI
 | | Crystal structure of CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Tris (pH 8.4) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-09 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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1HPG
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1K27
 | | Crystal Structure of 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with a Transition State Analogue | | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-Deoxy-5'-Methylthioadenosine Phosphorylase, PHOSPHATE ION | | Authors: | Shi, W, Singh, V, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | | Deposit date: | 2001-09-26 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Picomolar transition state analogue inhibitors of human 5'-methylthioadenosine phosphorylase and X-ray structure with MT-immucillin-A
Biochemistry, 43, 2004
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5QSY
 | | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z755044716 | | Descriptor: | Cohesin subunit SA-1, N-ethyl-1H-1,2,3-triazole-4-carboxamide | | Authors: | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QSW
 | | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884 | | Descriptor: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Cohesin subunit SA-1 | | Authors: | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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