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1A4V
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BU of 1a4v by Molmil
ALPHA-LACTALBUMIN
分子名称: ALPHA-LACTALBUMIN, CALCIUM ION
著者Chandra, N, Acharya, K.R.
登録日1998-02-05
公開日1999-04-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural evidence for the presence of a secondary calcium binding site in human alpha-lactalbumin.
Biochemistry, 37, 1998
5CKS
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BU of 5cks by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase in complex with DAHP Oxime.
分子名称: DAHP Oxime, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive, ...
著者Berti, P, Junop, M, Balachandran, N.
登録日2015-07-15
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1181 Å)
主引用文献Potent Inhibition of 3-Deoxy-d-arabinoheptulosonate-7-phosphate (DAHP) Synthase by DAHP Oxime, a Phosphate Group Mimic.
Biochemistry, 55, 2016
8E0Y
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DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP oxime, Pr(III), and Pi in unbound:(bound)2:other Conformations
分子名称: ACETATE ION, CITRATE ANION, DAHP Oxime, ...
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0Z
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DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase unbound:(bound)2:unbound Conformations
分子名称: CHLORIDE ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0U
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DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Sulfate in unbound:(bound)2:other conformations
分子名称: Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive, SULFATE ION
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0V
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BU of 8e0v by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in unbound:(bound)2:other Conformations
分子名称: MANGANESE (II) ION, PHOSPHATE ION, PHOSPHOENOLPYRUVATE, ...
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0T
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DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP Oxime in unbound:(bound)2:other conformations
分子名称: DAHP Oxime, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0X
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DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in unbound:(bound)2:other Conformations
分子名称: MANGANESE (II) ION, PHOSPHATE ION, PHOSPHOENOLPYRUVATE, ...
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0S
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DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP Oxime in unbound:(bound)2:unbound conformations
分子名称: DAHP Oxime, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive, ...
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
6TSD
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BU of 6tsd by Molmil
Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752
分子名称: CALCIUM ION, CHLORIDE ION, Capsid protein VP1, ...
著者Zocher, G, Stehle, T.
登録日2019-12-20
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Pentavalent Sialic Acid Conjugates Block Coxsackievirus A24 Variant and Human Adenovirus Type 37-Viruses That Cause Highly Contagious Eye Infections.
Acs Chem.Biol., 15, 2020
4XQA
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BU of 4xqa by Molmil
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462
分子名称: (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ...
著者Stehle, T, Liaci, A.M.
登録日2015-01-19
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4072 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4XQB
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BU of 4xqb by Molmil
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461
分子名称: 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ...
著者Stehle, T, Liaci, A.M.
登録日2015-01-19
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6T
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BU of 4k6t by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385
分子名称: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, ACETATE ION, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6W
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BU of 4k6w by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0408
分子名称: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6U
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BU of 4k6u by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0386
分子名称: 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol, ACETATE ION, Fiber protein, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6V
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BU of 4k6v by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0407
分子名称: 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol, 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ACETATE ION, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
1F6R
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BU of 1f6r by Molmil
CRYSTAL STRUCTURE OF APO-BOVINE ALPHA-LACTALBUMIN
分子名称: ALPHA-LACTALBUMIN
著者Chrysina, E.D, Brew, K, Acharya, K.R.
登録日2000-06-23
公開日2000-12-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions.
J.Biol.Chem., 275, 2000
1F6S
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BU of 1f6s by Molmil
CRYSTAL STRUCTURE OF BOVINE ALPHA-LACTALBUMIN
分子名称: ALPHA-LACTALBUMIN, CALCIUM ION
著者Chrysina, E.D, Brew, K, Acharya, K.R.
登録日2000-06-23
公開日2000-12-13
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions.
J.Biol.Chem., 275, 2000
5EUI
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BU of 5eui by Molmil
Structure of predicted ancestral pika hemoglobin
分子名称: HBA protein, HBB protein, PROTOPORPHYRIN IX CONTAINING FE
著者Inoguchi, N, Chandrasekhar, N, Storz, J.F, Moriyama, H.
登録日2015-11-18
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献structure of predicted pika ancestral hemoglobin at 1.45 Angstroms resolution.
To Be Published
6PPW
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BU of 6ppw by Molmil
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate
分子名称: D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase
著者Rosanally, A.Z, Junop, M.S, Berti, P.J.
登録日2019-07-08
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
6PPX
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Crystal structure of metal-free NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis in complex with malate
分子名称: D-MALATE, N-acetylneuraminate synthase
著者Rosanally, A.Z, Junop, M.S, Berti, P.J.
登録日2019-07-08
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
6PPZ
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BU of 6ppz by Molmil
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc)
分子名称: 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, MANGANESE (II) ION, N-acetylneuraminate synthase, ...
著者Berti, P.J, Junop, M.S.
登録日2019-07-08
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
6PPY
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BU of 6ppy by Molmil
Crystal structure of NeuNAc oxime complexed with NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis
分子名称: (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name), N-acetylneuraminate synthase
著者Rosanally, A.Z, Junop, M.J, Berti, P.J.
登録日2019-07-08
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019

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