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5KIY
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BU of 5kiy by Molmil
p97 ND1-A232E in complex with VIMP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Selenoprotein S, ...
著者Tang, W.K, Xia, D.
登録日2016-06-17
公開日2017-12-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
5KIU
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BU of 5kiu by Molmil
VCP-interacting membrane protein (VIMP)
分子名称: Selenoprotein S
著者Tang, W.K, Xia, D.
登録日2016-06-17
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
5L7F
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BU of 5l7f by Molmil
Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21.
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ...
著者Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A.
登録日2016-06-03
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
5L79
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BU of 5l79 by Molmil
Crystal structure of MMP12 in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21212.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CY5.5-PEG2, ...
著者Tepshi, L, Bordenave, T, Devel, L, Dive, V, Stura, E.A.
登録日2016-06-02
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
7B3E
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BU of 7b3e by Molmil
Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2020-11-30
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
7L1G
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BU of 7l1g by Molmil
PRMT5-MEP50 Complexed with SAM
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Methylosome protein 50, ...
著者Palte, R.L.
登録日2020-12-14
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Development of a Flexible and Robust Synthesis of Tetrahydrofuro[3,4- b ]furan Nucleoside Analogues.
J.Org.Chem., 86, 2021
3L59
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BU of 3l59 by Molmil
Structure of BACE Bound to SCH710413
分子名称: (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L58
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BU of 3l58 by Molmil
Structure of BACE Bound to SCH589432
分子名称: Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5B
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BU of 3l5b by Molmil
Structure of BACE Bound to SCH713601
分子名称: (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5E
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BU of 3l5e by Molmil
Structure of BACE Bound to SCH736062
分子名称: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5D
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BU of 3l5d by Molmil
Structure of BACE Bound to SCH723873
分子名称: 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5F
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BU of 3l5f by Molmil
Structure of BACE Bound to SCH736201
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5C
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BU of 3l5c by Molmil
Structure of BACE Bound to SCH723871
分子名称: 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
4ON3
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BU of 4on3 by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
分子名称: NITRATE ION, PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Xu, T, Xu, J, Wang, Q, Liu, J.
登録日2014-01-28
公開日2014-09-24
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
4PZG
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BU of 4pzg by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, NITRATE ION, Sorting nexin-10
著者Xu, T, Xu, J, Wang, Q, Liu, J.
登録日2014-03-30
公開日2014-09-24
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
8I16
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BU of 8i16 by Molmil
Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant
分子名称: Cas12g, ZINC ION
著者Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y.
登録日2023-01-12
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
8IN4
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BU of 8in4 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai
分子名称: 25 kDa polyphenol-binding protein, ACETYL GROUP, GLYCEROL
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN6
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BU of 8in6 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai complex with tannic acid
分子名称: 25 kDa polyphenol-binding protein, BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN1
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BU of 8in1 by Molmil
beta-glucosidase protein from Aplysia kurodai
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-Glucosidase, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN3
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BU of 8in3 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai
分子名称: 25 kDa polyphenol-binding protein, GLYCEROL
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-02-27
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024
5GW0
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BU of 5gw0 by Molmil
Crystal structure of SNX16 PX-Coiled coil
分子名称: Sorting nexin-16
著者Xu, J, Liu, J.
登録日2016-09-08
公開日2017-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
5GW1
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BU of 5gw1 by Molmil
Crystal structure of SNX16 PX-Coiled coil in space group P212121
分子名称: Sorting nexin-16
著者Xu, J, Liu, J.
登録日2016-09-08
公開日2017-09-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
6M11
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BU of 6m11 by Molmil
Crystal structure of Rnase L in complex with Sunitinib
分子名称: 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHATE ION, ...
著者Tang, J, Huang, H.
登録日2020-02-24
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
6M12
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BU of 6m12 by Molmil
Crystal Structure of Rnase L in complex with SU11652
分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, PHOSPHATE ION, Ribonuclease L, ...
著者Tang, J, Huang, H.
登録日2020-02-24
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020

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