7G2Y
 
 | | Crystal Structure of rat Autotaxin in complex with 2-[(R)-2-[1-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]ethylsulfinyl]-1,3-thiazole-5-sulfonamide, i.e. SMILES C1(=NC=C(S(=O)(=O)N)S1)[S@](=O)CC[C@H]1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2CN2N=NC(=N2)C)CC1 with IC50=0.00230987 microM | | Descriptor: | 2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide, ACETATE ION, CALCIUM ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Mattei, P, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
7G41
 | | Crystal Structure of rat Autotaxin in complex with (3,5-dichlorophenyl)methyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate, i.e. SMILES c1c(cc(cc1Cl)COC(=O)N1CCC2(CC1)CN(C2)C(=O)C)Cl with IC50=0.716927 microM | | Descriptor: | (3,5-dichlorophenyl)methyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Mattei, P, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
7G32
 | | Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(4-sulfamoylpiperidine-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES FC(Oc1ccc(cc1)COC(=O)N1C[C@H]2[C@H](C1)CN(C2)C(=O)N1CC[C@@H](CC1)S(=O)(=O)N)(F)F with IC50=0.183618 microM | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Mattei, P, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
2N5Z
 | |
7G3E
 | | Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-methyl-4-[[3-(2-oxa-7-azaspiro[4.4]nonane-7-carbonyl)-1H-pyrazol-5-yl]methoxy]benzonitrile, i.e. SMILES Cc1cc(c(cc1C#N)C(C)(C)C)OCC1=CC(=NN1)C(=O)N1CC[C@]2(CCOC2)C1 with IC50=0.00824801 microM | | Descriptor: | 5-tert-butyl-2-methyl-4-({5-[(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyrazol-3-yl}methoxy)benzonitrile, ACETATE ION, CALCIUM ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Pinard, E, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
3DV0
 | | Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | | Authors: | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | | Deposit date: | 2008-07-18 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex
Structure, 16, 2008
|
|
5ZP5
 | | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 277 K (1) | | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION | | Authors: | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | | Deposit date: | 2018-04-16 | | Release date: | 2018-12-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.767 Å) | | Cite: | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
7G46
 | | Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES N1(C[C@@H]2[C@@H](C1)CN(C2)C(=O)OCc1ccc(cc1)OC(F)(F)F)C(=O)[C@@H]1CCC2=C(C1)N=NN2 with IC50=0.00614797 microM | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Mattei, P, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
2WAO
 | | Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose | | Descriptor: | ENDOGLUCANASE E, FORMIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | | Deposit date: | 2009-02-10 | | Release date: | 2009-10-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
|
|
5ZPJ
 | | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 6 at 288 K (1) | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ... | | Authors: | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | | Deposit date: | 2018-04-16 | | Release date: | 2018-12-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.647 Å) | | Cite: | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
7G47
 | | Crystal Structure of rat Autotaxin in complex with 3-[4-(cyclopropylmethoxy)naphthalen-2-yl]-4-methyl-1H-1,2,4-triazol-5-one | | Descriptor: | (5M)-5-[4-(cyclopropylmethoxy)naphthalen-2-yl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Richter, H, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
2NC8
 | |
7G3G
 | | Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-methyl-4-[(2-oxo-1H-pyridin-3-yl)methoxy]benzonitrile, i.e. SMILES N#Cc1cc(C(C)(C)C)c(OCC2=CC=CNC2=O)cc1C with IC50=0.0896883 microM | | Descriptor: | 5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile, ACETATE ION, CALCIUM ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Ratni, H, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
2GGL
 | |
5ZJD
 | | Lactate dehydrogenase with NADH and MLA | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain, MALONATE ION | | Authors: | Han, C.W, Jang, S.B. | | Deposit date: | 2018-03-20 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
|
|
7G3V
 | | Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-chloro-4-[[5-(6-methoxypyrimidin-4-yl)-1-methylimidazol-2-yl]methoxy]benzonitrile, i.e. SMILES c1c(c(cc(c1C(C)(C)C)OCC1=NC=C(N1C)c1cc(ncn1)OC)Cl)C#N with IC50=0.0417382 microM | | Descriptor: | 5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile, ACETATE ION, CALCIUM ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Green, L, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
4JBG
 | | 1.75A resolution structure of a thermostable alcohol dehydrogenase from Pyrobaculum aerophilum | | Descriptor: | Alcohol dehydrogenase (Zinc), CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S. | | Deposit date: | 2013-02-19 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
|
|
7G4D
 | | Crystal Structure of rat Autotaxin in complex with rac-(E)-1-[rac-(1R,2S,6R,7S)-9-(1H-benzotriazole-5-carbonyl)-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)/C=C/c1ccc(cc1)OC(F)(F)F with IC50=0.00827722 microM | | Descriptor: | (2E)-1-[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Mattei, P, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
3DX3
 | | Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetraol | | Descriptor: | (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Rose, D.R. | | Deposit date: | 2008-07-23 | | Release date: | 2009-07-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
|
|
7G3T
 | | Crystal Structure of rat Autotaxin in complex with (2S)-6-chloro-2-[[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino]-2,3-dihydro-1H-indene-4-carbonitrile, i.e. SMILES C1c2cc(cc(C#N)c2C[C@H]1Nc1ncc(cn1)C(=O)N1C2(COC2)CC1)Cl with IC50=0.00758135 microM | | Descriptor: | (2R)-6-chloro-2-{[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile, ACETATE ION, CALCIUM ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Pinard, E, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
3DY5
 | | Allene oxide synthase 8R-lipoxygenase from Plexaura homomalla | | Descriptor: | Allene oxide synthase-lipoxygenase protein, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gilbert, N.C, Niebuhr, M, Tsuruta, H, Newcomer, M.E. | | Deposit date: | 2008-07-25 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | A covalent linker allows for membrane targeting of an oxylipin biosynthetic complex.
Biochemistry, 47, 2008
|
|
7G4C
 | | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(1R,2R,6S,7S)-9-(1-ethyl-4-propan-2-yloxyindole-6-carbonyl)-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)c1cc2c(c(c1)OC(C)C)C=CN2CC with IC50=0.0412147 microM | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Mattei, P, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
2G4P
 | | Anomalous substructure of lysozyme at pH 4.5 | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | | Deposit date: | 2006-02-22 | | Release date: | 2007-02-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
5YUQ
 | | The high resolution structure of chitinase (RmChi1) from the thermophilic fungus Rhizomucor miehei (sp P1) | | Descriptor: | Chintase | | Authors: | Jiang, Z.Q, Hu, S.Q, Liu, Y.C, Qin, Z, Yan, Q.J, Yang, S.Q. | | Deposit date: | 2017-11-23 | | Release date: | 2018-11-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 2021
|
|
7G4M
 | | Crystal Structure of rat Autotaxin in complex with N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide | | Descriptor: | CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Stihle, M, Benz, J, Hunziker, D, Richter, H, Rudolph, M.G. | | Deposit date: | 2023-06-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
|
|
