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4P4I
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X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Barinka, C.
登録日2014-03-12
公開日2015-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P44
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X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-81
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Novakova, Z, Barinka, C.
登録日2014-03-11
公開日2015-05-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4N6R
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BU of 4n6r by Molmil
Crystal structure of VosA-VelB-complex
分子名称: SULFATE ION, VelB, VosA
著者Ahmed, Y.L, Dickmanns, A, Neumann, P, Ficner, R.
登録日2013-10-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Velvet Family of Fungal Regulators Contains a DNA-Binding Domain Structurally Similar to NF-kappa B.
Plos Biol., 11, 2013
4N9B
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BU of 4n9b by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.859 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4MXN
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Crystal structure of a putative glycosyl hydrolase (PARMER_00599) from Parabacteroides merdae ATCC 43184 at 1.95 A resolution
分子名称: Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2013-09-26
公開日2013-10-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a hypothetical protein (PARMER_00599) from Parabacteroides merdae ATCC 43184 at 1.95 A resolution
To be published
4N0R
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BU of 4n0r by Molmil
Crystal structure of a putative glycoside hydrolase (BVU_0362) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution
分子名称: GLYCEROL, NICKEL (II) ION, UNKNOWN LIGAND, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-10-02
公開日2013-10-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a putative glycoside hydrolase (BVU_0362) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution
To be published
4N9D
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N8E
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BU of 4n8e by Molmil
DPP4 complexed with compound 12a
分子名称: 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2013-10-17
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
4MXT
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Crystal structure of an Outer-membrane lipoprotein carrier protein (BACUNI_04723) from Bacteroides uniformis ATCC 8492 at 1.40 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2013-09-26
公開日2013-10-16
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a hypothetical protein (BACUNI_04723) from Bacteroides uniformis ATCC 8492 at 1.40 A resolution
To be published
4PHX
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Crystal structure of AggB, the minor subunit of aggregative adherence fimbriae type I from the Escherichia coli O4H104
分子名称: Protein AggB
著者Pakharukova, N.A, Tuitilla, M, Zavialov, A.V.
登録日2014-05-07
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4POI
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BU of 4poi by Molmil
Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution
分子名称: Putative periplasmic protein
著者Joint Center for Structural Genomics (JCSG)
登録日2014-02-25
公開日2014-03-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution
To be published
4P45
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BU of 4p45 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-73
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Novakova, Z, Barinka, C.
登録日2014-03-11
公開日2015-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P3F
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BU of 4p3f by Molmil
Structure of the human SRP68-RBD
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Signal recognition particle subunit SRP68
著者Grotwinkel, J.T, Wild, K, Sinning, I.
登録日2014-03-07
公開日2014-04-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献SRP RNA remodeling by SRP68 explains its role in protein translocation.
Science, 344, 2014
4P2G
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BU of 4p2g by Molmil
Crystal structure of DJ-1 in sulfinic acid form (aged crystal)
分子名称: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-04
公開日2014-04-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4MG3
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BU of 4mg3 by Molmil
Crystal Structural Analysis of 2A Protease from Coxsackievirus A16
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protease 2A, ...
著者Sun, Y, Wang, X, Dang, M, Yuan, S.
登録日2013-08-28
公開日2014-03-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献An open conformation determined by a structural switch for 2A protease from coxsackievirus A16.
Protein Cell, 4, 2013
4M98
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Acetyltransferase domain of PglB from Neisseria gonorrhoeae FA1090
分子名称: Pilin glycosylation protein
著者Morrison, M.J, Imperiali, B.
登録日2013-08-14
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Biochemical analysis and structure determination of bacterial acetyltransferases responsible for the biosynthesis of UDP-N,N'-diacetylbacillosamine.
J.Biol.Chem., 288, 2013
4LSG
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BU of 4lsg by Molmil
Structure of Mouse P-Glycoprotein
分子名称: MERCURY (II) ION, Multidrug resistance protein 1A
著者Chang, G, Szewczyk, P.
登録日2013-07-22
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献

4LV9
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BU of 4lv9 by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4MCP
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BU of 4mcp by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyl-gamma-L-glutamic acid (pteroyldi-gamma-L-glutamic acid)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Navratil, M, Barinka, C, Lubkowski, J.
登録日2013-08-21
公開日2014-06-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
4LVZ
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Structure of the THF riboswitch bound to 2,6-diaminopurine
分子名称: 9H-PURINE-2,6-DIAMINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4M0F
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BU of 4m0f by Molmil
Structure of human acetylcholinesterase in complex with territrem B
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L.
登録日2013-08-01
公開日2013-10-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
4LVF
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Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVY
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Structure of the THF riboswitch bound to pemetrexed
分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4M8K
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Crystal structure of a putative GDSL-like lipase (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
分子名称: ACETATE ION, CHLORIDE ION, hypothetical protein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-08-13
公開日2013-08-28
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a hypothetical protein (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
To be published
4P4E
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BU of 4p4e by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor MP1D
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C.
登録日2014-03-12
公開日2015-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016

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