PDB: 11000 resultsInfo pagesStatus searchChemie searchBIRD

---

4CK1	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Peat, T.S. Deposit date: 2013-12-23 Release date: 2014-01-22 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CIE	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, CHLORIDE ION, ... Authors: Peat, T.S. Deposit date: 2013-12-07 Release date: 2014-01-08 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
4CK3	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 5-[(2S)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... Authors: Peat, T.S. Deposit date: 2013-12-24 Release date: 2014-01-22 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CIF	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, CHLORIDE ION, ... Authors: Peat, T.S. Deposit date: 2013-12-07 Release date: 2014-01-08 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CJK	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 5-[(2S)-4-methyl-2-{[(1H-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... Authors: Peat, T.S. Deposit date: 2013-12-21 Release date: 2014-01-08 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
2FCL	Crystal structure of a putative nucleotidyltransferase (tm1012) from Thermotoga maritima at 1.35 A resolution Descriptor: 1,2-ETHANEDIOL, UNKNOWN LIGAND, hypothetical protein TM1012 Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2005-12-12 Release date: 2006-03-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of hypothetical protein (tm1012) from Thermotoga maritima at 1.35 A resolution To be published
4CGF	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 1,2-ETHANEDIOL, 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... Authors: Peat, T.S. Deposit date: 2013-11-23 Release date: 2013-12-04 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
1O13	Crystal structure of a putative dinitrogenase iron-molybdenum cofactor (tm1816) from thermotoga maritima at 1.83 A resolution Descriptor: probable NifB protein Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2002-10-15 Release date: 2002-12-18 Last modified: 2023-01-25 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Crystal structure of probable NifB protein that is involved in FeMo-Co biosynthesis TM1816 from Thermotoga maritima at 1.83 A resolution To be published
4CGJ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... Authors: Peat, T.S. Deposit date: 2013-11-25 Release date: 2013-12-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CHQ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 1,2-ETHANEDIOL, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... Authors: Peat, T.S. Deposit date: 2013-12-04 Release date: 2013-12-11 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
4CJP	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid, CHLORIDE ION, INTEGRASE, ... Authors: Peat, T.S. Deposit date: 2013-12-22 Release date: 2014-01-08 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CK2	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 2-(1,2-benzoxazol-3-yl)ethanoic acid, ACETATE ION, INTEGRASE, ... Authors: Peat, T.S. Deposit date: 2013-12-24 Release date: 2014-01-22 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
3W2Q	EGFR kinase domain T790M/L858R mutant with HKI-272 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide Authors: Sogabe, S, Kawakita, Y, Igaki, S. Deposit date: 2012-12-03 Release date: 2013-01-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
2FZT	CRYSTAL STRUCTURE OF a putative nucleic acid binding protein (TM0693) FROM THERMOTOGA MARITIMA MSB8 AT 2.05 A RESOLUTION Descriptor: ISOPROPYL ALCOHOL, hypothetical protein TM0693 Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2006-02-10 Release date: 2006-03-21 Last modified: 2023-01-25 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal structure of hypothetical protein (tm0693) from THERMOTOGA MARITIMA at 2.05 A resolution To be published
4CHZ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 1,2-ETHANEDIOL, 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one, ACETATE ION, ... Authors: Peat, T.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CGD	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 1,2-ETHANEDIOL, 2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid, ACETIC ACID, ... Authors: Peat, T.S. Deposit date: 2013-11-22 Release date: 2013-12-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CHY	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 1,2-ETHANEDIOL, 5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... Authors: Peat, T.S. Deposit date: 2013-12-04 Release date: 2013-12-18 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
4CJT	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 1,2-benzoxazol-3-amine, ACETATE ION, GLYCEROL, ... Authors: Peat, T.S. Deposit date: 2013-12-23 Release date: 2014-01-08 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
1MRZ	Crystal structure of a flavin binding protein from Thermotoga Maritima, TM379 Descriptor: CITRIC ACID, Riboflavin kinase/FMN adenylyltransferase Authors: Wang, W, Kim, R, Jancarik, J, Yokota, H, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) Deposit date: 2002-09-19 Release date: 2003-09-23 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of a flavin-binding protein from Thermotoga Maritima Proteins, 52, 2003
2H2W	Crystal structure of Homoserine O-succinyltransferase (EC 2.3.1.46) (Homoserine O-transsuccinylase) (HTS) (tm0881) from THERMOTOGA MARITIMA at 2.52 A resolution Descriptor: Homoserine O-succinyltransferase Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2006-05-19 Release date: 2006-07-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.52 Å) Cite: Crystal structure of Homoserine O-succinyltransferase (EC 2.3.1.46) (Homoserine O-transsuccinylase) (HTS) (tm0881) from THERMOTOGA MARITIMA at 2.52 A resolution To be published
2GNO	Crystal structure of a dna polymerase iii, gamma subunit-related protein (tm0771) from thermotoga maritima msb8 at 2.00 A resolution Descriptor: 2-ETHOXYETHANOL, DNA polymerase III, gamma subunit-related protein, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2006-04-10 Release date: 2006-04-18 Last modified: 2023-01-25 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of DNA polymerase III, gamma subunit-related protein (tm0771) from Thermotoga maritima at 2.00 A resolution To be published
1O6A	CRYSTAL STRUCTURE OF A C-TERMINAL FRAGMENT OF THE PUTATIVE FLAGELLAR MOTOR SWITCH PROTEIN FLIN (TM0680) FROM THERMOTOGA MARITIMA AT 1.85 A RESOLUTION Descriptor: putative flagellar motor switch protein FliN Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2003-10-24 Release date: 2003-11-11 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of the C-terminal fragment of the putative flagellar motor switch protein FliN (TM0680a) from Thermotoga maritima at 1.85 A resolution To be published
1O0W	Crystal structure of Ribonuclease III (TM1102) from Thermotoga maritima at 2.0 A resolution Descriptor: Ribonuclease III Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2002-09-13 Release date: 2002-11-13 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of Ribonuclease III (TM1102) from Thermotoga maritima at 2.0 A resolution To be published
3WZU	THE STRUCTURE OF MAP2K7 IN COMPLEX WITH 5Z-7-oxozeaenol Descriptor: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 7 Authors: Sogabe, Y, Hashimoto, Y, Matsumoto, T, Kinoshita, T. Deposit date: 2014-10-07 Release date: 2015-01-14 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3.01 Å) Cite: 5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner. Bioorg.Med.Chem.Lett., 25, 2015
2ZAD	Crystal Structure of Muconate Cycloisomerase from Thermotoga maritima MSB8 Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Muconate cycloisomerase, ... Authors: Padmanabhan, B, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2007-10-03 Release date: 2008-04-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of Muconate Cycloisomerase from Thermotoga maritima MSB8 To be Published

<27282930313233343536373839404142>