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4CK1
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BU of 4ck1 by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Peat, T.S.
登録日2013-12-23
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CIE
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BU of 4cie by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, CHLORIDE ION, ...
著者Peat, T.S.
登録日2013-12-07
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CK3
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BU of 4ck3 by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 5-[(2S)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ...
著者Peat, T.S.
登録日2013-12-24
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CIF
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BU of 4cif by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, CHLORIDE ION, ...
著者Peat, T.S.
登録日2013-12-07
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CJK
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BU of 4cjk by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 5-[(2S)-4-methyl-2-{[(1H-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Peat, T.S.
登録日2013-12-21
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
2FCL
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BU of 2fcl by Molmil
Crystal structure of a putative nucleotidyltransferase (tm1012) from Thermotoga maritima at 1.35 A resolution
分子名称: 1,2-ETHANEDIOL, UNKNOWN LIGAND, hypothetical protein TM1012
著者Joint Center for Structural Genomics (JCSG)
登録日2005-12-12
公開日2006-03-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of hypothetical protein (tm1012) from Thermotoga maritima at 1.35 A resolution
To be published
4CGF
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BU of 4cgf by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ...
著者Peat, T.S.
登録日2013-11-23
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
1O13
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BU of 1o13 by Molmil
Crystal structure of a putative dinitrogenase iron-molybdenum cofactor (tm1816) from thermotoga maritima at 1.83 A resolution
分子名称: probable NifB protein
著者Joint Center for Structural Genomics (JCSG)
登録日2002-10-15
公開日2002-12-18
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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
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BU of 4cgj by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ...
著者Peat, T.S.
登録日2013-11-25
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CHQ
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BU of 4chq by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ...
著者Peat, T.S.
登録日2013-12-04
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CJP
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BU of 4cjp by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid, CHLORIDE ION, INTEGRASE, ...
著者Peat, T.S.
登録日2013-12-22
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CK2
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BU of 4ck2 by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 2-(1,2-benzoxazol-3-yl)ethanoic acid, ACETATE ION, INTEGRASE, ...
著者Peat, T.S.
登録日2013-12-24
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
3W2Q
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BU of 3w2q by Molmil
EGFR kinase domain T790M/L858R mutant with HKI-272
分子名称: 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
著者Sogabe, S, Kawakita, Y, Igaki, S.
登録日2012-12-03
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
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BU of 2fzt by Molmil
CRYSTAL STRUCTURE OF a putative nucleic acid binding protein (TM0693) FROM THERMOTOGA MARITIMA MSB8 AT 2.05 A RESOLUTION
分子名称: ISOPROPYL ALCOHOL, hypothetical protein TM0693
著者Joint Center for Structural Genomics (JCSG)
登録日2006-02-10
公開日2006-03-21
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of hypothetical protein (tm0693) from THERMOTOGA MARITIMA at 2.05 A resolution
To be published
4CHZ
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BU of 4chz by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one, ACETATE ION, ...
著者Peat, T.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CGD
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BU of 4cgd by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid, ACETIC ACID, ...
著者Peat, T.S.
登録日2013-11-22
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CHY
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BU of 4chy by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ...
著者Peat, T.S.
登録日2013-12-04
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CJT
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BU of 4cjt by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-benzoxazol-3-amine, ACETATE ION, GLYCEROL, ...
著者Peat, T.S.
登録日2013-12-23
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
1MRZ
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BU of 1mrz by Molmil
Crystal structure of a flavin binding protein from Thermotoga Maritima, TM379
分子名称: CITRIC ACID, Riboflavin kinase/FMN adenylyltransferase
著者Wang, W, Kim, R, Jancarik, J, Yokota, H, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2002-09-19
公開日2003-09-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a flavin-binding protein from Thermotoga Maritima
Proteins, 52, 2003
2H2W
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BU of 2h2w by Molmil
Crystal structure of Homoserine O-succinyltransferase (EC 2.3.1.46) (Homoserine O-transsuccinylase) (HTS) (tm0881) from THERMOTOGA MARITIMA at 2.52 A resolution
分子名称: Homoserine O-succinyltransferase
著者Joint Center for Structural Genomics (JCSG)
登録日2006-05-19
公開日2006-07-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献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
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BU of 2gno by Molmil
Crystal structure of a dna polymerase iii, gamma subunit-related protein (tm0771) from thermotoga maritima msb8 at 2.00 A resolution
分子名称: 2-ETHOXYETHANOL, DNA polymerase III, gamma subunit-related protein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2006-04-10
公開日2006-04-18
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of DNA polymerase III, gamma subunit-related protein (tm0771) from Thermotoga maritima at 2.00 A resolution
To be published
1O6A
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BU of 1o6a by Molmil
CRYSTAL STRUCTURE OF A C-TERMINAL FRAGMENT OF THE PUTATIVE FLAGELLAR MOTOR SWITCH PROTEIN FLIN (TM0680) FROM THERMOTOGA MARITIMA AT 1.85 A RESOLUTION
分子名称: putative flagellar motor switch protein FliN
著者Joint Center for Structural Genomics (JCSG)
登録日2003-10-24
公開日2003-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
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BU of 1o0w by Molmil
Crystal structure of Ribonuclease III (TM1102) from Thermotoga maritima at 2.0 A resolution
分子名称: Ribonuclease III
著者Joint Center for Structural Genomics (JCSG)
登録日2002-09-13
公開日2002-11-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Ribonuclease III (TM1102) from Thermotoga maritima at 2.0 A resolution
To be published
3WZU
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BU of 3wzu by Molmil
THE STRUCTURE OF MAP2K7 IN COMPLEX WITH 5Z-7-oxozeaenol
分子名称: (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
著者Sogabe, Y, Hashimoto, Y, Matsumoto, T, Kinoshita, T.
登録日2014-10-07
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.
Bioorg.Med.Chem.Lett., 25, 2015
2ZAD
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BU of 2zad by Molmil
Crystal Structure of Muconate Cycloisomerase from Thermotoga maritima MSB8
分子名称: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Muconate cycloisomerase, ...
著者Padmanabhan, B, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-10-03
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Muconate Cycloisomerase from Thermotoga maritima MSB8
To be Published

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件を2024-07-31に公開中

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