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5VQ6
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BU of 5vq6 by Molmil
Crystal structure of human WT-KRAS in complex with GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION
Authors:Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
Deposit date:2017-05-08
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5VP7
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BU of 5vp7 by Molmil
Crystal structure of human KRAS G12A mutant in complex with GDP
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, S, Long, B, Boris, G, Chen, A, Ni, S, Kennedy, M.A.
Deposit date:2017-05-04
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5VPZ
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BU of 5vpz by Molmil
Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION
Authors:Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
Deposit date:2017-05-06
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
4HK6
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BU of 4hk6 by Molmil
Crystal structure of Cordyceps militaris IDCase in complex with 5-nitro-uracil
Descriptor: 5-nitrouracil, Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Zhu, J, Ding, J.
Deposit date:2012-10-15
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4HK7
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BU of 4hk7 by Molmil
Crystal structure of Cordyceps militaris IDCase in complex with uracil
Descriptor: URACIL, Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Zhu, J, Ding, J.
Deposit date:2012-10-15
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.189 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4HK5
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BU of 4hk5 by Molmil
Crystal structure of Cordyceps militaris IDCase in apo form
Descriptor: Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Zhu, J, Ding, J.
Deposit date:2012-10-15
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4HJW
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BU of 4hjw by Molmil
Crystal structure of Metarhizium anisopliae IDCase in apo form
Descriptor: Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Zhu, J, Ding, J.
Deposit date:2012-10-14
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
1ZTY
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BU of 1zty by Molmil
Crystal Structure of the Chitin Oligasaccharide Binding Protein
Descriptor: Chitin Oligosaccharide Binding Protein
Authors:Xu, S, Li, X, Roseman, R, Stock, A.M.
Deposit date:2005-05-28
Release date:2006-06-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the liganded and unliganded periplasmic Chitin oligosaccharide binding protein.
To be Published
1ZU0
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BU of 1zu0 by Molmil
Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin Oligosaccharide Binding Protein, MANGANESE (II) ION
Authors:Xu, S, Li, X, Roseman, R, Stock, A.M.
Deposit date:2005-05-28
Release date:2006-06-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the liganded and unliganded periplasmic chitin oligosaccharide binding protein
To be Published
4LAL
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BU of 4lal by Molmil
Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4LAM
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BU of 4lam by Molmil
Crystal structure of Cordyceps militaris IDCase D323N mutant in complex with 5-carboxyl-uracil
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
6BL3
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BU of 6bl3 by Molmil
Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate
Descriptor: 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2017-11-09
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
6BL4
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BU of 6bl4 by Molmil
Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate
Descriptor: 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2017-11-09
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
4GFR
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BU of 4gfr by Molmil
Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, Peptide ABC transporter, ...
Authors:Xu, S, Li, X, Gu, L, Roseman, R, Stock, A.M.
Deposit date:2012-08-03
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chitin catabolic cascade in the marine bacterium Vibrio cholerae: properties, structure and functions of a periplasmic chitooligosaccharide binding protein (CBP)
To be Published
3OXG
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BU of 3oxg by Molmil
human lysine methyltransferase Smyd3 in complex with AdoHcy (Form III)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
3OXF
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BU of 3oxf by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form I)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
3OXL
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BU of 3oxl by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form II)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding
Nucleic Acids Res., 39, 2011
2HKA
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BU of 2hka by Molmil
Crystal structure of bovine NPC2 and cholesterol sulfate complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, ...
Authors:Xu, S, Gu, L, Benoff, B, Stock, A.M.
Deposit date:2006-07-03
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Basis of Sterol Binding by NPC2, a Lysosomal Protein Deficient in Niemann-Pick Type C2 Disease
J.Biol.Chem., 282, 2007
6BZ3
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BU of 6bz3 by Molmil
Complex structure of FAK FAT domain and DCC P3 motif
Descriptor: CALCIUM ION, Focal adhesion kinase 1, Netrin receptor DCC
Authors:Xu, S, Wang, J.-H.
Deposit date:2017-12-22
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:The binding of DCC-P3 motif and FAK-FAT domain mediates the initial step of netrin-1/DCC signaling for axon attraction.
Cell Discov, 4, 2018
3RIB
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BU of 3rib by Molmil
Human lysine methyltransferase Smyd2 in complex with AdoHcy
Descriptor: N-lysine methyltransferase SMYD2, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Xu, S, Zhang, T, Zhong, C, Ding, J.
Deposit date:2011-04-13
Release date:2011-07-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure of human lysine methyltransferase Smyd2 reveals insights into the substrate divergence in Smyd proteins
J Mol Cell Biol, 3, 2011
6NIW
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BU of 6niw by Molmil
Crystal structure of P[6] rotavirus
Descriptor: DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein
Authors:Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A.
Deposit date:2019-01-01
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens.
Plos Pathog., 16, 2020
6V3R
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BU of 6v3r by Molmil
Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2019-11-26
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4Z0L
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BU of 4z0l by Molmil
The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative
Descriptor: (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J.
Deposit date:2015-03-26
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
4FM5
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BU of 4fm5 by Molmil
X-ray structure of des-methylflurbiprofen bound to murine COX-2
Descriptor: (2-fluorobiphenyl-4-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Xu, S, Banerjee, S, Windsor, M.A, Marnett, L.J.
Deposit date:2012-06-15
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.
ACS Med Chem Lett, 3, 2012
4OTJ
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BU of 4otj by Molmil
The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
Descriptor: (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2014-02-13
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016

222036

數據於2024-07-03公開中

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