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4G9H
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BU of 4g9h by Molmil
Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione
分子名称: GLUTATHIONE, GLYCEROL, Glutathione S-transferase
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-07-23
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target efi-501894, with bound glutathione
To be Published
4GC4
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BU of 4gc4 by Molmil
Crystal structure of the mutant R160A.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2012-07-29
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4204 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
1NC6
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BU of 1nc6 by Molmil
Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone
分子名称: (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ...
著者Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E.
登録日2002-12-04
公開日2003-09-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
4FSJ
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BU of 4fsj by Molmil
Crystal structure of the virus like particle of Flock House virus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
登録日2012-06-27
公開日2012-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
4FT3
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BU of 4ft3 by Molmil
Crystal Structure of the CHK1
分子名称: 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FSM
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BU of 4fsm by Molmil
Crystal Structure of the CHK1
分子名称: 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FT9
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BU of 4ft9 by Molmil
Crystal Structure of the CHK1
分子名称: 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTK
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BU of 4ftk by Molmil
Crystal Structure of the CHK1
分子名称: 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FV8
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BU of 4fv8 by Molmil
Crystal Structure of the ERK2 complexed with E63
分子名称: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the ERK2 complexed with E63
TO BE PUBLISHED
4FV5
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BU of 4fv5 by Molmil
Crystal Structure of the ERK2 complexed with EK9
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK9
TO BE PUBLISHED
1IHW
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BU of 1ihw by Molmil
SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, 40 STRUCTURES
分子名称: HIV-1 INTEGRASE
著者Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M.
登録日1995-05-12
公開日1996-07-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA binding domain of HIV-1 integrase.
Biochemistry, 34, 1995
4FXR
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BU of 4fxr by Molmil
Crystal structure of the mutant T159V.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2012-07-03
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
4G6R
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BU of 4g6r by Molmil
Minimal Hairpin Ribozyme in the Transition State with G8I Variation
分子名称: Loop A Ribozyme strand, Loop A Substrate strand, Loop B Ribozyme Strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.832 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
1JA8
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BU of 1ja8 by Molmil
Kinetic Analysis of Product Inhibition in Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Manganese Superoxide Dismutase, SULFATE ION
著者Hearn, A.S, Stroupe, M.E, Cabelli, D.E, Lepock, J.R, Tainer, J.A, Nick, H.S, Silverman, D.S.
登録日2001-05-29
公開日2001-06-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Kinetic analysis of product inhibition in human manganese superoxide dismutase.
Biochemistry, 40, 2001
1JB2
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BU of 1jb2 by Molmil
CRYSTAL STRUCTURE OF NTF2 M84E MUTANT
分子名称: NUCLEAR TRANSPORT FACTOR 2
著者Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M.
登録日2001-06-01
公開日2002-03-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
1JBW
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BU of 1jbw by Molmil
FPGS-AMPPCP-folate complex
分子名称: 5,10-METHYLENE-6-HYDROFOLIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, FOLYLPOLYGLUTAMATE SYNTHASE, ...
著者Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A.
登録日2001-06-06
公開日2001-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Folate-binding triggers the activation of folylpolyglutamate synthetase.
J.Mol.Biol., 310, 2001
4FSZ
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BU of 4fsz by Molmil
Crystal Structure of the CHK1
分子名称: (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2014-10-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTA
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BU of 4fta by Molmil
Crystal Structure of the CHK1
分子名称: 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FST
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BU of 4fst by Molmil
Crystal Structure of the CHK1
分子名称: 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTM
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BU of 4ftm by Molmil
Crystal Structure of the CHK1
分子名称: 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FUF
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BU of 4fuf by Molmil
Crystal Structure of the Urokinase
分子名称: 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FU9
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BU of 4fu9 by Molmil
Crystal Structure of the Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Urokinase
To be Published
4FV0
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BU of 4fv0 by Molmil
Crystal Structure of the ERK2 complexed with EK3
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-28
公開日2012-08-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK3
TO BE PUBLISHED
4FW4
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BU of 4fw4 by Molmil
Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
分子名称: ACETATE ION, GLYCEROL, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-29
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of the LpxC
to be published
4FX3
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BU of 4fx3 by Molmil
Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
分子名称: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cyclin-A2, ...
著者Kang, Y.N, Stuckey, J.A.
登録日2012-07-02
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
To be Published

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件を2024-09-25に公開中

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