4A3X
| Structure of the N-terminal domain of the Epa1 adhesin (Epa1-Np) from the pathogenic yeast Candida glabrata, in complex with calcium and lactose | Descriptor: | CALCIUM ION, EPA1P, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Ielasi, F.S, Decanniere, K, Willaert, R.G. | Deposit date: | 2011-10-05 | Release date: | 2012-02-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Epithelial Adhesin 1 (Epa1P) from the Human-Pathogenic Yeast Candida Glabrata : Structural and Functional Study of the Carbohydrate-Binding Domain Acta Crystallogr.,Sect.D, 68, 2012
|
|
3BXR
| Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism | Descriptor: | (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide, Protease, SULFATE ION | Authors: | Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L. | Deposit date: | 2008-01-14 | Release date: | 2008-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism Biochemistry, 47, 2008
|
|
6BKY
| Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2 | Descriptor: | (2S)-2-hydroxybutanedioic acid, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2017-11-09 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
|
|
2HT8
| N8 neuraminidase in complex with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-25 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
2HTV
| N4 neuraminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
4LVX
| |
2HOK
| |
2HTQ
| N8 neuraminidase in complex with zanamivir | Descriptor: | Neuraminidase, ZANAMIVIR | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
3BXS
| Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism | Descriptor: | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid, Protease, SULFATE ION | Authors: | Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L. | Deposit date: | 2008-01-14 | Release date: | 2008-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism Biochemistry, 47, 2008
|
|
2HT5
| N8 Neuraminidase | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-25 | Release date: | 2006-09-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
|
|
6HCQ
| Structure of the rabbit collided di-ribosome (collided monosome) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | Authors: | Juszkiewicz, S, Chandrasekaran, V, Lin, Z, Kraatz, S, Ramakrishnan, V, Hegde, R.S. | Deposit date: | 2018-08-16 | Release date: | 2018-10-17 | Last modified: | 2018-11-14 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | ZNF598 Is a Quality Control Sensor of Collided Ribosomes. Mol. Cell, 72, 2018
|
|
3N10
| Product complex of adenylate cyclase class IV | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Adenylate cyclase 2, MANGANESE (II) ION, ... | Authors: | Gallagher, D.T, Reddy, P.T. | Deposit date: | 2010-05-14 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Active-Site Structure of Class IV Adenylyl Cyclase and Transphyletic Mechanism. J.Mol.Biol., 405, 2011
|
|
2H54
| |
5DAA
| |
1UPM
| ACTIVATED SPINACH RUBISCO COMPLEXED WITH 2-CARBOXYARABINITOL 2 BISPHOSPHAT AND CA2+. | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CALCIUM ION, RIBULOSE BISPHOSPHATE CARBOXYLASE LARGE CHAIN, ... | Authors: | Karkehabadi, S, Taylor, T.C, Andersson, I. | Deposit date: | 2003-10-08 | Release date: | 2003-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Calcium Supports Loop Closure But not Catalysis in Rubisco J.Mol.Biol., 334, 2003
|
|
3FP5
| Crystal structure of ACBP from Moniliophthora perniciosa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acyl-CoA Binding Protein, ZINC ION | Authors: | Monzani, P.S, Pereira, H.M, Melo, F.A, Meirelles, F.V, Oliva, G, Cascardo, J.C.M. | Deposit date: | 2009-01-04 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | A new topology of ACBP from Moniliophthora perniciosa. Biochim.Biophys.Acta, 1804, 2010
|
|
6FNF
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712 | Descriptor: | 4-methyl-3-[(1-methyl-6-pyridin-3-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: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
6FNK
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.049 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
5DFP
| Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | Deposit date: | 2015-08-27 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
|
|
1JFA
| |
4LVZ
| |
3MYN
| Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bowden, E.F, de Serrano, V.S, D'Antonio, E.L, Franzen, S. | Deposit date: | 2010-05-10 | Release date: | 2011-04-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin. Biochemistry, 50, 2011
|
|
4YJX
| The structure of Agrobacterium tumefaciens ClpS2 bound to L-phenylalaninamide | Descriptor: | ATP-dependent Clp protease adapter protein ClpS 2, PHENYLALANINE AMIDE, SULFATE ION | Authors: | Stein, B, Grant, R.A, Sauer, R.T, Baker, T.A. | Deposit date: | 2015-03-03 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.547 Å) | Cite: | Structural Basis of an N-Degron Adaptor with More Stringent Specificity. Structure, 24, 2016
|
|
4LVY
| Structure of the THF riboswitch bound to pemetrexed | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch | Authors: | Trausch, J.J, Batey, R.T. | Deposit date: | 2013-07-26 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
|
|
2FZI
| New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives | Descriptor: | 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Pace, J, Chisum, K, Rosowsky, A. | Deposit date: | 2006-02-09 | Release date: | 2006-12-26 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions. Proteins, 65, 2006
|
|