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3VM8
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BU of 3vm8 by Molmil
Crystal structure of the human APOBEC3C having HIV-1 Vif-binding interface
分子名称: Probable DNA dC->dU-editing enzyme APOBEC-3C, ZINC ION
著者Kitamura, S, Suzuki, A, Watanabe, N, Iwatani, Y.
登録日2011-12-09
公開日2012-10-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the human APOBEC3C having HIV-1 Vif-binding interface
To be Published
3VOW
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BU of 3vow by Molmil
Crystal Structure of the Human APOBEC3C having HIV-1 Vif-binding Interface
分子名称: CHLORIDE ION, Probable DNA dC->dU-editing enzyme APOBEC-3C, ZINC ION
著者Kitamura, S, Suzuki, A, Watanabe, N, Iwatani, Y.
登録日2012-02-22
公開日2012-10-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The APOBEC3C crystal structure and the interface for HIV-1 Vif binding.
Nat.Struct.Mol.Biol., 19, 2012
6UQD
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BU of 6uqd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a SuFEx-based optimized small molecule inhibitor
分子名称: Streptopain, benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2019-10-18
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Sulfur(VI) Fluoride Exchange (SuFEx)-Enabled High-Throughput Medicinal Chemistry.
J.Am.Chem.Soc., 142, 2020
6E69
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BU of 6e69 by Molmil
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
分子名称: 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2018-07-24
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UKD
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BU of 6ukd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a nitrile-based specific covalent inhibitor
分子名称: NITRATE ION, Streptopain, benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2019-10-04
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献An Irreversible Inhibitor to Probe the Role ofStreptococcus pyogenesCysteine Protease SpeB in Evasion of Host Complement Defenses.
Acs Chem.Biol., 15, 2020
1J18
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BU of 1j18 by Molmil
Crystal Structure of a Beta-Amylase from Bacillus cereus var. mycoides Cocrystallized with Maltose
分子名称: ACETIC ACID, Beta-amylase, CALCIUM ION, ...
著者Miyake, H, Kurisu, G, Kusunoki, M, Nishimura, S, Kitamura, S, Nitta, Y.
登録日2002-12-02
公開日2003-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a Catalytic Site Mutant of beta-Amylase from Bacillus cereus var. mycoides Cocrystallized with Maltopentaose
BIOCHEMISTRY, 42, 2003
1ITC
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BU of 1itc by Molmil
Beta-Amylase from Bacillus cereus var. mycoides Complexed with Maltopentaose
分子名称: ACETIC ACID, Beta-Amylase, CALCIUM ION, ...
著者Miyake, H, Kurisu, G, Kusunoki, M, Nishimura, S, Kitamura, S, Nitta, Y.
登録日2002-01-17
公開日2003-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a Catalytic Site Mutant of beta-Amylase from Bacillus cereus var. mycoides Cocrystallized with Maltopentaose
BIOCHEMISTRY, 42, 2003
3WNL
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BU of 3wnl by Molmil
D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltohexaose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ...
著者Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K.
登録日2013-12-10
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
3WNM
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BU of 3wnm by Molmil
D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoheptaose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ...
著者Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K.
登録日2013-12-10
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
3WNN
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BU of 3wnn by Molmil
D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltooctaose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ...
著者Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K.
登録日2013-12-10
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
3WNP
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BU of 3wnp by Molmil
D308A, F268V, D469Y, A513V, and Y515S quintuple mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoundecaose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ...
著者Suzuki, R, Suzuki, N, Fujimoto, Z, Momma, M, Kimura, K, Kitamura, S, Kimura, A, Funane, K.
登録日2013-12-10
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular engineering of cycloisomaltooligosaccharide glucanotransferase from Bacillus circulans T-3040: structural determinants for the reaction product size and reactivity.
Biochem.J., 467, 2015
5HKB
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BU of 5hkb by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to the inhibitor KB2115
分子名称: ACETATE ION, CFTR Inhibitory Factor (Cif), KB2115
著者Hvorecny, K.L, Madden, D.R.
登録日2016-01-13
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
5HKA
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BU of 5hka by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor
分子名称: 5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide, CFTR inhibitory factor
著者Hvorecny, K.L, Madden, D.R.
登録日2016-01-13
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
5HK9
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BU of 5hk9 by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to a urea inhibitor
分子名称: CFTR inhibitory factor, N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide
著者Hvorecny, K.L, Madden, D.R.
登録日2016-01-13
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
8SD4
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BU of 8sd4 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
分子名称: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Kadam, R.U, Zhu, X, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SD2
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BU of 8sd2 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
分子名称: (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kadam, R.U, Zhu, X.Y, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQQ
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BU of 8vqq by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-19
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQM
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BU of 8vqm by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime
分子名称: (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQN
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BU of 8vqn by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R
分子名称: (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQL
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BU of 8vql by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime
分子名称: (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
9C66
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BU of 9c66 by Molmil
Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B
分子名称: 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ...
著者LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A.
登録日2024-06-07
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insights into the Interaction Landscape of the EVH1 Domain of Mena.
Biochemistry, 2024
7COV
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BU of 7cov by Molmil
Potato D-enzyme, native (substrate free)
分子名称: 4-alpha-glucanotransferase, chloroplastic/amyloplastic, CALCIUM ION, ...
著者Unno, H, Imamura, K.
登録日2020-08-05
公開日2020-08-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
7DBJ
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BU of 7dbj by Molmil
Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ...
著者Sogabe, S, Miwa, M.
登録日2020-10-20
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
7DBK
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BU of 7dbk by Molmil
Crystal structure of human LDHB in complex with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain
著者Sogabe, S, Miwa, M.
登録日2020-10-20
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
8GJR
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BU of 8gjr by Molmil
Crystal Structure of Nanobody VHH114 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, CITRATE ANION, Nanobody VHH114
著者Simard, A.R, Madden, D.R.
登録日2023-03-16
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Nanobody VHH114 Bound to Its Antigen PA14 Cif
To Be Published

 

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