6R2O
 
 | | Hemoglobin structure from serial crystallography with a 3D-printed nozzle. | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Hemoglobin subunit alpha, ... | | Authors: | Oberthuer, D, Yefanov, O, Sarrou, I. | | Deposit date: | 2019-03-18 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Ultracompact 3D microfluidics for time-resolved structural biology.
Nat Commun, 11, 2020
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5NDZ
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution | | Descriptor: | 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-09 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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3V9J
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6R2R
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2I7X
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6R2T
 | | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical form) and phenylpropiolic acid | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, Leys, D. | | Deposit date: | 2019-03-18 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
to be published
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5NHT
 | | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | Deposit date: | 2017-03-22 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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6R2J
 | | Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | | Deposit date: | 2019-03-18 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
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6R34
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6R3L
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6R40
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2I3Q
 | | Q44V mutant of Homing Endonuclease I-CreI | | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*AP*CP*TP*CP*AP*CP*GP*TP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*AP*CP*GP*TP*GP*AP*GP*TP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | | Authors: | Rosen, L, Sussman, D. | | Deposit date: | 2006-08-20 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Homing endonuclease I-CreI derivatives with novel DNA target specificities.
Nucleic Acids Res., 34, 2006
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1NXM
 | | The high resolution structures of RmlC from Streptococcus suis | | Descriptor: | dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase | | Authors: | Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H. | | Deposit date: | 2003-02-11 | | Release date: | 2003-06-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
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1NYR
 | | Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, THREONINE, ZINC ION, ... | | Authors: | Torres-Larios, A, Sankaranarayanan, R, Rees, B, Dock-Bregeon, A.C, Moras, D. | | Deposit date: | 2003-02-13 | | Release date: | 2003-10-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Conformational movements and cooperativity upon amino acid, ATP and tRNA binding in threonyl-tRNA synthetase
J.Mol.Biol., 331, 2003
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2I5R
 | | Structure of small Toprim domain-containing protein from B. stearothermophilus in complex with Mg2+ | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rezacova, P, Borek, D, Otwinowski, Z, Joachimiak, A, Moy, S.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-08-25 | | Release date: | 2007-07-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure and putative function of small Toprim domain-containing protein from Bacillus stearothermophilus.
Proteins, 70, 2007
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5NK0
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1j | | Descriptor: | 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, 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 (1.597 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NK4
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, 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 (1.45 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NKB
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide | | 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 (1.5 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NGE
 | | Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671 | | Descriptor: | 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D. | | Deposit date: | 2017-03-17 | | Release date: | 2017-10-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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5NKH
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e | | Descriptor: | 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, 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 (1.29 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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2HY1
 | | Crystal structure of Rv0805 | | Descriptor: | FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Shenoy, A.R, Capuder, M, Draskovic, P, Lamba, D, Visweswariah, S.S, Podobnik, M. | | Deposit date: | 2006-08-04 | | Release date: | 2006-12-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
J.Mol.Biol., 365, 2007
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1O03
 | | Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 6-phosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase | | Authors: | Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2003-02-20 | | Release date: | 2003-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
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2I9M
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1NM8
 | | Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer | | Descriptor: | Carnitine O-acetyltransferase | | Authors: | Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R. | | Deposit date: | 2003-01-09 | | Release date: | 2003-03-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer
J.Biol.Chem., 278, 2003
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2I9U
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