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1AY9
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BU of 1ay9 by Molmil
WILD-TYPE UMUD' FROM E. COLI
Descriptor: UMUD PROTEIN
Authors:Peat, T.S, Frank, E.G, Mcdonald, J.P, Levine, A.S, Woodgate, R, Hendrickson, W.A.
Deposit date:1997-11-15
Release date:1998-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:The UmuD' protein filament and its potential role in damage induced mutagenesis.
Structure, 4, 1996
4V1Y
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BU of 4v1y by Molmil
The structure of the hexameric atrazine chlorohydrolase, AtzA
Descriptor: 1,2-ETHANEDIOL, ATRAZINE CHLOROHYDROLASE, CHLORIDE ION, ...
Authors:Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C.
Deposit date:2014-10-04
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015
4V1X
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BU of 4v1x by Molmil
The structure of the hexameric atrazine chlorohydrolase, AtzA
Descriptor: ATRAZINE CHLOROHYDROLASE, DI(HYDROXYETHYL)ETHER, FE (III) ION
Authors:Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C.
Deposit date:2014-10-04
Release date:2015-03-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015
1BKB
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BU of 1bkb by Molmil
INITIATION FACTOR 5A FROM ARCHEBACTERIUM PYROBACULUM AEROPHILUM
Descriptor: TRANSLATION INITIATION FACTOR 5A
Authors:Peat, T.S, Newman, J, Waldo, G.S, Berendzen, J, Terwilliger, T.C.
Deposit date:1998-07-05
Release date:1998-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of translation initiation factor 5A from Pyrobaculum aerophilum at 1.75 A resolution.
Structure, 6, 1998
4CHZ
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BU of 4chz by Molmil
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
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BU of 4cgd by Molmil
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
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BU of 4chy by Molmil
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
4CIG
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BU of 4cig by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, INTEGRASE, ...
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
4CJE
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BU of 4cje by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Peat, T.S.
Deposit date:2013-12-19
Release date:2014-01-08
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
4CJS
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BU of 4cjs by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Peat, T.S.
Deposit date:2013-12-23
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
4CHO
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BU of 4cho by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2013-12-04
Release date:2013-12-11
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
4CJL
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BU of 4cjl by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[(2S)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-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 (1.77 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CJV
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BU of 4cjv by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2013-12-23
Release date:2014-01-22
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
4CGI
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BU of 4cgi by Molmil
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 (2.07 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CHN
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BU of 4chn by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic 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 (2 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CJ5
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BU of 4cj5 by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[(2S)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Peat, T.S.
Deposit date:2013-12-19
Release date:2014-01-08
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
4CGH
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BU of 4cgh by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[[(1S,2R)-2-(4-azanylbutanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ...
Authors:Peat, T.S.
Deposit date:2013-11-25
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CGG
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BU of 4cgg by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: (2S)-6-[(E)-[(2E)-2-hydroxyimino-3H-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Peat, T.S.
Deposit date:2013-11-25
Release date:2013-12-04
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
4CJU
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BU of 4cju by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ...
Authors:Peat, T.S.
Deposit date:2013-12-23
Release date:2014-01-22
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
4CJ3
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BU of 4cj3 by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ...
Authors:Peat, T.S.
Deposit date:2013-12-19
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
4CJF
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BU of 4cjf by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ...
Authors:Peat, T.S.
Deposit date:2013-12-20
Release date:2014-01-08
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
4CJR
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BU of 4cjr by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Peat, T.S.
Deposit date:2013-12-22
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
4CJQ
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BU of 4cjq by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[(2S)-2-[[2-(1H-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE 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 (1.7 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CK1
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BU of 4ck1 by Molmil
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
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BU of 4cie by Molmil
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

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