4N0Z
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4CEZ
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-13 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CF1
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, INTEGRASE, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-13 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CFB
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-14 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CF8
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 1,2-ETHANEDIOL, ACETIC ACID, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-14 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CF9
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (2R)-2-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2S)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, (3R)-3-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2R)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 1,2-ETHANEDIOL, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-14 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CF2
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, INTEGRASE, SULFATE ION | Authors: | Peat, T.S. | Deposit date: | 2013-11-13 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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1LWJ
| CRYSTAL STRUCTURE OF T. MARITIMA 4-ALPHA-GLUCANOTRANSFERASE/ACARBOSE COMPLEX | Descriptor: | 4-ALPHA-GLUCANOTRANSFERASE, CALCIUM ION, MODIFIED ACARBOSE PENTASACCHARIDE | Authors: | Roujeinikova, A, Raasch, C, Sedelnikova, S, Liebl, W, Rice, D.W. | Deposit date: | 2002-05-31 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA 4-ALPHA-GLUCANOTRANSFERASE AND ITS ACARBOSE COMPLEX:
IMPLICATIONS FOR SUBSTRATE SPECIFICITY AND CATALYSIS J.Mol.Biol., 321, 2002
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4CFC
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 5-[[[(1S)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-14 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4P17
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1WL2
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima R90A mutant | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-06-18 | Release date: | 2005-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase To be Published
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1WL1
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima H74A mutant | Descriptor: | octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-06-18 | Release date: | 2005-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase To be Published
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1WL0
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima R44A mutant | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-06-18 | Release date: | 2005-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase To be Published
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1J6U
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1WL3
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima R91A mutant | Descriptor: | octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-06-18 | Release date: | 2005-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase To be Published
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1WKZ
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima K41A mutant | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-06-18 | Release date: | 2005-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase To be Published
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3QZB
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3FLD
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1JI0
| Crystal Structure Analysis of the ABC transporter from Thermotoga maritima | Descriptor: | ABC transporter, ADENOSINE-5'-TRIPHOSPHATE | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Beasley, S, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-06-28 | Release date: | 2002-08-14 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0 A Crystal Structure of ABC Transporter from Thermotoga maritima TO BE PUBLISHED
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3R12
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2IIR
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6J61
| Crystal Structure of Thymidylate Synthase, Thy1, from Thermus thermophilus having an Extra C Terminal Domain | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, PHOSPHATE ION | Authors: | Ogawa, A, Sampei, G, Kawai, G. | Deposit date: | 2019-01-12 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the flavin-dependent thymidylate synthase Thy1 from Thermus thermophilus with an extra C-terminal domain. Acta Crystallogr.,Sect.F, 75, 2019
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2AJR
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1KXJ
| The Crystal Structure of Glutamine Amidotransferase from Thermotoga maritima | Descriptor: | Amidotransferase hisH, PHOSPHATE ION | Authors: | Korolev, S, Skarina, T, Evdokimova, E, Beasley, S, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-01-31 | Release date: | 2002-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of glutamine amidotransferase from Thermotoga maritima Proteins, 49, 2002
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2AMU
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