2WZ8
 
 | | Family 35 carbohydrate binding module from Clostridium thermocellum | | Descriptor: | CALCIUM ION, CELLULOSOME PROTEIN DOCKERIN TYPE I, MAGNESIUM ION | | Authors: | Gloster, T.M, Davies, G.J, Fontes, C.M, Gilbert, H.J. | | Deposit date: | 2009-11-25 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Signature Active Site Architectures Illuminate the Molecular Basis for Ligand Specificity in Family 35 Carbohydrate Binding Module .
Biochemistry, 49, 2010
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5TR6
 | | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | | Descriptor: | 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK | | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | | Deposit date: | 2016-10-25 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
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5CLA
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5CNG
 | | ultrafast dynamics in myoglobin: 150 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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5CLD
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5CN9
 | | Ultrafast dynamics in myoglobin: 0.4 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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5CL5
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5CL6
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5CLC
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5CN4
 | | Ultrafast dynamics in myoglobin: -0.1 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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5CNC
 | | Ultrafast dynamics in myoglobin: 0.6 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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1QES
 | | TANDEM GU MISMATCHES IN RNA, NMR, 30 STRUCTURES | | Descriptor: | RNA (5'-R(*GP*GP*AP*GP*UP*UP*CP*C)-3') | | Authors: | Mcdowell, J.A, He, L, Chen, X, Turner, D.H. | | Deposit date: | 1997-03-04 | | Release date: | 1997-06-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Investigation of the structural basis for thermodynamic stabilities of tandem GU wobble pairs: NMR structures of (rGGAGUUCC)2 and (rGGAUGUCC)2.
Biochemistry, 36, 1997
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2VJO
 | | Formyl-CoA transferase mutant variant Q17A with aspartyl-CoA thioester intermediates and oxalate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, COENZYME A, ... | | Authors: | Berthold, C.L, Toyota, C.G, Richards, N.G.J, Lindqvist, Y. | | Deposit date: | 2007-12-11 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reinvestigation of the Catalytic Mechanism of Formyl-Coa Transferase, a Class III Coa-Transferase.
J.Biol.Chem., 283, 2008
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2JQG
 | | Leader Protease | | Descriptor: | Genome polyprotein | | Authors: | Cencic, R, Mayer, C, Juliano, M.A, Juliano, L, Konrat, R, Kontaxis, G, Skern, T. | | Deposit date: | 2007-06-01 | | Release date: | 2007-07-24 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Investigating the Substrate Specificity and Oligomerisation of the Leader Protease of Foot and Mouth Disease Virus using NMR
J.Mol.Biol., 373, 2007
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2VJL
 | | Formyl-CoA transferase with aspartyl-CoA thioester intermediate derived from formyl-CoA | | Descriptor: | CHLORIDE ION, COENZYME A, FORMYL-COENZYME A TRANSFERASE, ... | | Authors: | Berthold, C.L, Toyota, C.G, Richards, N.G.J, Lindqvist, Y. | | Deposit date: | 2007-12-11 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reinvestigation of the Catalytic Mechanism of Formyl-Coa Transferase, a Class III Coa-Transferase.
J.Biol.Chem., 283, 2008
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5D45
 | | Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid | | Descriptor: | 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
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2VJN
 | | Formyl-CoA transferase mutant variant G260A | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMYL-COENZYME A TRANSFERASE | | Authors: | Berthold, C.L, Toyota, C.G, Richards, N.G.J, Lindqvist, Y. | | Deposit date: | 2007-12-11 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reinvestigation of the Catalytic Mechanism of Formyl-Coa Transferase, a Class III Coa-Transferase.
J.Biol.Chem., 283, 2008
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2XVP
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2B08
 | | Reduced acetamide-bound M150G Nitrite Reductase from Alcaligenes faecalis | | Descriptor: | ACETAMIDE, COPPER (I) ION, Copper-containing nitrite reductase | | Authors: | Wijma, H.J, MacPherson, I.S, Farver, O, Tocheva, E.I, Pecht, I, Verbeet, M.Ph, Murphy, M.E.P, Canters, G.W. | | Deposit date: | 2005-09-13 | | Release date: | 2006-09-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Effect of the methionine ligand on the reorganization energy of the type-1 copper site of nitrite reductase.
J.Am.Chem.Soc., 129, 2007
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2AH7
 | | Crystal structure of nitrophorin 2 aqua complex | | Descriptor: | Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R. | | Deposit date: | 2005-07-27 | | Release date: | 2006-07-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus
To be Published
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2ASN
 | | Crystal structure of D1A mutant of nitrophorin 2 complexed with imidazole | | Descriptor: | IMIDAZOLE, Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R. | | Deposit date: | 2005-08-23 | | Release date: | 2006-08-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus
To be Published
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1OCJ
 | | Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a THIOPENTASACCHARIDE at 1.3 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CELLOBIOHYDROLASE II, ... | | Authors: | Varrot, A, Frandsen, T.P, Von Ossowski, I, Boyer, V, Driguez, H, Schulein, M, Davies, G.J. | | Deposit date: | 2003-02-07 | | Release date: | 2003-07-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural Basis for Ligand Binding and Processivity in Cellobiohydrolase Cel6A from Humicola Insolens
Structure, 11, 2003
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5DGH
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5D5R
 | | Horse-heart myoglobin - deoxy state | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Barends, T, Schlichting, I. | | Deposit date: | 2015-08-11 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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5D48
 | | Crystal Structure of FABP4 in complex with 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy) phenyl]-1H-indol-1-yl}propanoic acid | | Descriptor: | 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
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