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5JMC
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BU of 5jmc by Molmil
Receptor binding domain of Botulinum neurotoxin A in complex with rat SV2C
分子名称: Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C
著者Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R.
登録日2016-04-28
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
5JLV
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BU of 5jlv by Molmil
Receptor binding domain of Botulinum neurotoxin A in complex with human glycosylated SV2C
分子名称: 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, ACETATE ION, ...
著者Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R.
登録日2016-04-27
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
5L21
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BU of 5l21 by Molmil
Crystal structure of BoNT/A receptor binding domain in complex with VHH C2
分子名称: Botulinum neurotoxin type A, VHH-C2
著者Yao, G, Jin, R.
登録日2016-07-29
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A camelid single-domain antibody neutralizes botulinum neurotoxin A by blocking host receptor binding.
Sci Rep, 7, 2017
5V38
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BU of 5v38 by Molmil
Crystal Structure of The Receptor-binding Domain of Botulinum Neurotoxin Type HA
分子名称: ACETIC ACID, HcHA
著者Yao, G, Lam, K.-H, Jin, R.
登録日2017-03-06
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Receptor-Binding Domain of Botulinum Neurotoxin Type HA, Also Known as Type FA or H.
Toxins (Basel), 9, 2017
3SAJ
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BU of 3saj by Molmil
Crystal Structure of glutamate receptor GluA1 Amino Terminal Domain
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, Glutamate receptor 1, ...
著者Jin, R, Zong, Y, Yao, G, Gu, S.
登録日2011-06-02
公開日2011-06-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the glutamate receptor GluA1 N-terminal domain.
Biochem.J., 438, 2011
4LO6
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BU of 4lo6 by Molmil
HA70-alpha2,6-SiaLC
分子名称: CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO7
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BU of 4lo7 by Molmil
HA70(D3)-HA17-HA33
分子名称: HA-17, HA-33, HA-70
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.73 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO8
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BU of 4lo8 by Molmil
HA70(D3)-HA17
分子名称: HA-17, HA-70
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4AFJ
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BU of 4afj by Molmil
5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors
分子名称: 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
著者Gentile, G, Merlo, G, Pozzan, A, Bernasconi, G, Bax, B, Bamborough, P, Bridges, A, Carter, P, Neu, M, Yao, G, Brough, C, Cutler, G, Coffin, A, Belyanskaya, S.
登録日2012-01-19
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4LO3
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BU of 4lo3 by Molmil
HA17-HA33-LacNac
分子名称: HA-17, HA-33, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO5
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BU of 4lo5 by Molmil
HA70-alpha2,3-SiaLC
分子名称: CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO0
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BU of 4lo0 by Molmil
Apo HA17-HA33
分子名称: HA-17, HA-33
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO2
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BU of 4lo2 by Molmil
HA17-HA33-Lac
分子名称: HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO4
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BU of 4lo4 by Molmil
Apo HA-70
分子名称: CHLORIDE ION, HA-70
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.871 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
4LO1
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BU of 4lo1 by Molmil
HA17-HA33-Gal
分子名称: HA-17, HA-33, beta-D-galactopyranose
著者Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
登録日2013-07-12
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
5VMR
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BU of 5vmr by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
分子名称: Bot.2110.4, Botulinum neurotoxin type B
著者Jin, R, Lam, K, Yao, G.
登録日2017-04-28
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VID
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BU of 5vid by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
分子名称: Bot.0671.2, Botulinum neurotoxin type B
著者Jin, R, Lam, K, Yao, G.
登録日2017-04-15
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
3V64
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BU of 3v64 by Molmil
Crystal Structure of agrin and LRP4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor-related protein 4, ...
著者Zong, Y, Zhang, B, Gu, S, Lee, K, Zhou, J, Yao, G, Figueiedo, D, Perry, K, Mei, L, Jin, R.
登録日2011-12-18
公開日2012-04-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of agrin-LRP4-MuSK signaling.
Genes Dev., 26, 2012
4X8C
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BU of 4x8c by Molmil
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
著者Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日2014-12-10
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
4X8G
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BU of 4x8g by Molmil
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone
著者Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日2014-12-10
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
8SYC
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BU of 8syc by Molmil
Crystal structure of PDE3B in complex with GSK4394835A
分子名称: MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
著者Concha, N.O, Nolte, R.
登録日2023-05-25
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.
J.Med.Chem., 67, 2024
6TPY
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BU of 6tpy by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPX
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BU of 6tpx by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TQ2
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BU of 6tq2 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2019-12-15
公開日2020-02-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPZ
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020

 

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