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4ACT
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BU of 4act by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-17
分子名称: 3-hydroxy-4-phenoxybenzaldehyde, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-19
公開日2012-12-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Study of Novel Transthyretin Inhibitors: Unique Mechanism of Negative-Cooperativity between Two T4 Binding Sites
To be Published
4ABU
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BU of 4abu by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-2
分子名称: 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-11
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4AC4
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BU of 4ac4 by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-18
分子名称: 3-METHOXY-4-PHENOXYBENZOIC ACID, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-13
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4ABW
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BU of 4abw by Molmil
Crystal Structure of Transthyretin in Complex With Ligand C-6
分子名称: TRANSTHYRETIN, {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-11
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4M65
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BU of 4m65 by Molmil
In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ...
著者Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
登録日2013-08-08
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes
Acta Crystallogr.,Sect.D, D70
1J4S
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BU of 1j4s by Molmil
Structure of Artocarpin: a Lectin with Mannose Specificity (Form 1)
分子名称: Artocarpin
著者Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M.
登録日2001-10-30
公開日2002-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity.
J.Mol.Biol., 317, 2002
4NCY
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BU of 4ncy by Molmil
In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
著者Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
登録日2013-10-25
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
2O4K
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BU of 2o4k by Molmil
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Atazanavir
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, CHLORIDE ION, ...
著者Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
2O4S
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BU of 2o4s by Molmil
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Lopinavir
分子名称: CHLORIDE ION, GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ...
著者Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
2O4L
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BU of 2o4l by Molmil
Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir
分子名称: CHLORIDE ION, GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, ...
著者Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
4N8Z
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BU of 4n8z by Molmil
In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand
分子名称: BENZAMIDINE, CHLORIDE ION, Lysozyme C, ...
著者Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
登録日2013-10-18
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
4MQ3
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BU of 4mq3 by Molmil
The 1.1 Angstrom Structure of Catalytic Core Domain of FIV Integrase
分子名称: Integrase
著者Galilee, M, Alian, A.
登録日2013-09-15
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Identification of phe187 as a crucial dimerization determinant facilitates crystallization of a monomeric retroviral integrase core domain.
Structure, 22, 2014
4P2E
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BU of 4p2e by Molmil
Acoustic transfer of protein crystals from agar pedestals to micromeshes for high throughput screening of heavy atom derivatives
分子名称: CHLORIDE ION, COPPER (II) ION, Lysozyme C, ...
著者Cuttitta, C.M, Roessler, C.G, Ericson, D.L, Scalia, A, Teplitsky, E, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Sweet, R.M, Soares, A.S.
登録日2014-03-03
公開日2014-04-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening.
Acta Crystallogr.,Sect.D, 71, 2015
1J4T
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BU of 1j4t by Molmil
Structure of Artocarpin: a Lectin with Mannose Specificity (Form 2)
分子名称: Artocarpin
著者Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M.
登録日2001-10-30
公開日2002-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity.
J.Mol.Biol., 317, 2002
4PA1
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BU of 4pa1 by Molmil
Crystal Structure of Catalytic Core domain of FIV Integrase
分子名称: Integrase
著者Galilee, M, Alian, A.
登録日2014-04-07
公開日2014-09-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of phe187 as a crucial dimerization determinant facilitates crystallization of a monomeric retroviral integrase core domain.
Structure, 22, 2014
1J4U
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BU of 1j4u by Molmil
Structure of Artocarpin Complexed with Me-alpha-Mannose
分子名称: Artocarpin, methyl alpha-D-mannopyranoside
著者Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M.
登録日2001-10-30
公開日2002-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity.
J.Mol.Biol., 317, 2002
2NSD
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BU of 2nsd by Molmil
Enoyl acyl carrier protein reductase InhA in complex with N-(4-methylbenzoyl)-4-benzylpiperidine
分子名称: Enoyl-[acyl-carrier-protein] reductase, N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者He, X, Alian, A, Ortiz de Montellano, P.R.
登録日2006-11-03
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides.
Bioorg.Med.Chem., 15, 2007
1BWU
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BU of 1bwu by Molmil
MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE
分子名称: PROTEIN (AGGLUTININ), alpha-D-mannopyranose
著者Chandra, N.R, Ramachandraiah, G, Bachhawat, K, Dam, T.K, Surolia, A, Vijayan, M.
登録日1998-09-28
公開日1999-01-20
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a dimeric mannose-specific agglutinin from garlic: quaternary association and carbohydrate specificity.
J.Mol.Biol., 285, 1999
2O4N
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BU of 2o4n by Molmil
Crystal Structure of HIV-1 Protease (TRM Mutant) in Complex with Tipranavir
分子名称: GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease
著者Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
2O4P
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BU of 2o4p by Molmil
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir
分子名称: GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease
著者Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
7V4Z
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BU of 7v4z by Molmil
Structure of Horcolin native form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Bobbili, K.B, Sivaji, N, Jayaprakash, N.G, Narayanan, V, Sekhar, A, Suguna, K, Surolia, A.
登録日2021-08-16
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure and Carbohydrate Recognition by the Nonmitogenic Lectin Horcolin.
Biochemistry, 61, 2022
7V4S
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BU of 7v4s by Molmil
Horcolin complex with methyl-alpha-mannose
分子名称: Horcolin, methyl alpha-D-mannopyranoside
著者Bobbili, K.B, Sivaji, N, Jayaprakash, N.G, Narayanan, V, Sekhar, A, Suguna, K, Surolia, A.
登録日2021-08-14
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure and Carbohydrate Recognition by the Nonmitogenic Lectin Horcolin.
Biochemistry, 61, 2022
7YAQ
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BU of 7yaq by Molmil
Phloem lectin (PP2)C34S mutant
分子名称: 17 kDa phloem lectin
著者Sivaji, N, Bobbili, K.B, Priya, B, Suguna, K, Surolia, A.
登録日2022-06-28
公開日2023-03-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Structure and interactions of the phloem lectin (phloem protein 2) Cus17 from Cucumis sativus.
Structure, 31, 2023
7VS6
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BU of 7vs6 by Molmil
Phloem lectin (PP2) structure -native form
分子名称: 17 kDa phloem lectin, PLATINUM (II) ION
著者Sivaji, N, Bobbili, K.B, Suguna, K, Surolia, A.
登録日2021-10-25
公開日2023-02-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and interactions of the phloem lectin (phloem protein 2) Cus17 from Cucumis sativus.
Structure, 31, 2023
7VUB
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BU of 7vub by Molmil
Phloem lectin (PP2) complex with Nitrobenzene
分子名称: 1,2-ETHANEDIOL, NITROBENZENE, Phloem lectin
著者Sivaji, N, Bobbili, K.B, Suguna, K, Surolia, A.
登録日2021-11-02
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure and interactions of the phloem lectin (phloem protein 2) Cus17 from Cucumis sativus.
Structure, 31, 2023

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