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5H1I
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NMR structure of TIBA, a chimera of SFTI
分子名称: Bradykinin-trypsin inhibitor secondary loop chimera
著者Xiao, T, Tam, J.P.
登録日2016-10-10
公開日2017-04-19
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
1D2U
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BU of 1d2u by Molmil
1.15 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS
分子名称: AMMONIA, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
著者Weichsel, A, Andersen, J.F, Roberts, S.A, Montfort, W.R.
登録日1999-09-28
公開日2001-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
8Y2C
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BU of 8y2c by Molmil
Cryo-EM structure of human dopamine transporter in apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2E
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BU of 8y2e by Molmil
Cryo-EM structure of human dopamine transporter in complex with benztropine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter, benztropine
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2G
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BU of 8y2g by Molmil
Cryo-EM structure of human dopamine transporter in complex with methylphenidate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SODIUM ION, ...
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2F
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BU of 8y2f by Molmil
Cryo-EM structure of human dopamine transporter in complex with GBR12909
分子名称: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2D
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BU of 8y2d by Molmil
Cryo-EM structure of human dopamine transporter in complex with dopamine
分子名称: CHLORIDE ION, L-DOPAMINE, SODIUM ION, ...
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
9IUL
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BU of 9iul by Molmil
The structure of Candida albicans Cdr1 in fluconazole-bound state
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1
著者Peng, Y, Sun, H, Yan, Z.F.
登録日2024-07-23
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9IUK
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The structure of Candida albicans Cdr1 in apo state
分子名称: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1
著者Peng, Y, Sun, H, Yan, Z.F.
登録日2024-07-22
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9IUM
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BU of 9ium by Molmil
The structure of Candida albicans Cdr1 in milbemycin oxime-inhibited state
分子名称: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1, milbemycin oxime
著者Peng, Y, Sun, H, Yan, Z.F.
登録日2024-07-22
公開日2024-09-18
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
8Y7L
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BU of 8y7l by Molmil
Crystal Structure of Nur77 LBD in complex with N-(2'-(4-hydroxypiperidin-1-yl)-[4,4'-bipyridin]-2-yl)cinnamamide
分子名称: (~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide, Nuclear receptor subfamily 4immunitygroup A member 1
著者Hong, W.B, Lin, T.W.
登録日2024-02-04
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献Discovery of a novel exceptionally potent and orally active Nur77 ligand NB1 with a distinct binding mode for cancer therapy
Acta Pharm Sin B, 2024
8WBX
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BU of 8wbx by Molmil
Cryo-EM structure of the ABCG25 bound to ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25
著者Xin, J, Yan, K.G.
登録日2023-09-10
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WD6
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BU of 8wd6 by Molmil
Cryo-EM structure of the ABCG25
分子名称: ABC transporter G family member 25
著者Xin, J, Yan, K.G.
登録日2023-09-14
公開日2023-09-27
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WAM
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BU of 8wam by Molmil
Cryo-EM structure of the ABCG25 E232Q mutant bound to ATP and Magnesium
分子名称: ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Xin, J, Yan, K.G.
登録日2023-09-07
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WBA
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BU of 8wba by Molmil
Cryo-EM structure of the ABCG25 bound to CHS
分子名称: ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE
著者Xin, J, Yan, K.G.
登録日2023-09-09
公開日2023-09-27
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
1IKJ
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BU of 1ikj by Molmil
1.27 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH IMIDAZOLE
分子名称: IMIDAZOLE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
著者Roberts, S.A, Weichsel, A, Qui, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R.
登録日2001-05-03
公開日2001-10-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
4LCD
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BU of 4lcd by Molmil
Structure of an Rsp5xUbxSna3 complex: Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3
分子名称: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
著者Kamadurai, H.B, Miller, D, Schulman, B.A.
登録日2013-06-21
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3.
Elife, 2, 2013
5ZNS
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BU of 5zns by Molmil
Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
5ZNT
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BU of 5znt by Molmil
Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
8J5Z
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BU of 8j5z by Molmil
The cryo-EM structure of the TwOSC1 tetramer
分子名称: Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside
著者Ma, X, Yuru, T, Yunfeng, L, Jiang, T.
登録日2023-04-24
公開日2023-11-01
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
8GZ1
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BU of 8gz1 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2,apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Sodium channel protein type 8 subunit alpha, ...
著者Li, Y, Jiang, D.
登録日2022-09-24
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
8GZ2
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Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin
分子名称: (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ...
著者Li, Y, Jiang, D.
登録日2022-09-24
公開日2023-03-08
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
6CRM
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BU of 6crm by Molmil
Crystal Structure of RecQ catalytic core from C. sakazakii bound to an unfolded G-quadruplex
分子名称: DNA (5'-D(P*GP*GP*GP*TP*CP*GP*GP*TP*GP*CP*CP*TP*TP*A)-3'), RecQ, ZINC ION
著者Voter, A.F, Keck, J.L.
登録日2018-03-19
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.19286251 Å)
主引用文献A guanine-flipping and sequestration mechanism for G-quadruplex unwinding by RecQ helicases.
Nat Commun, 9, 2018
1ML7
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BU of 1ml7 by Molmil
Crystal structure of nitrophorin 4 complexed with 4-iodopyrazole
分子名称: 4-IODOPYRAZOLE, 5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX, nitrophorin 4
著者Berry, R.E, Ding, X.D, Weichsel, A, Montfort, W.R, Walker, F.A.
登録日2002-08-30
公開日2002-09-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Axial ligand complexes of the Rhodnius nitrophorins: reduction potentials, binding constants, EPR spectra, and structures of the 4-iodopyrazole and imidazole complexes of NP4
J.Biol.Inorg.Chem., 9, 2004

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