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5H1I
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BU of 5h1i by Molmil
NMR structure of TIBA, a chimera of SFTI
Descriptor: Bradykinin-trypsin inhibitor secondary loop chimera
Authors:Xiao, T, Tam, J.P.
Deposit date:2016-10-10
Release date:2017-04-19
Last modified:2024-10-23
Method:SOLUTION NMR
Cite: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
Descriptor: AMMONIA, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weichsel, A, Andersen, J.F, Roberts, S.A, Montfort, W.R.
Deposit date:1999-09-28
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter, benztropine
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SODIUM ION, ...
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite: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
Descriptor: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite: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
Descriptor: CHLORIDE ION, L-DOPAMINE, SODIUM ION, ...
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 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
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-23
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9IUK
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BU of 9iuk by Molmil
The structure of Candida albicans Cdr1 in apo state
Descriptor: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-22
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite: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
Descriptor: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1, milbemycin oxime
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-22
Release date:2024-09-18
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite: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
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Ma, Y.L, Yang, L.Q.
Deposit date:2013-11-06
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: (~{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
Authors:Hong, W.B, Lin, T.W.
Deposit date:2024-02-04
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.683 Å)
Cite: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
Descriptor: (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
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-10
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite: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
Descriptor: ABC transporter G family member 25
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-14
Release date:2023-09-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite: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
Descriptor: ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-07
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite: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
Descriptor: ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-09
Release date:2023-09-27
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: IMIDAZOLE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roberts, S.A, Weichsel, A, Qui, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R.
Deposit date:2001-05-03
Release date:2001-10-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
Authors:Kamadurai, H.B, Miller, D, Schulman, B.A.
Deposit date:2013-06-21
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: 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, ...
Authors:Liu, L, Zhou, Y, Yang, Q.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.396 Å)
Cite: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
Descriptor: 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, ...
Authors:Liu, L, Zhou, Y, Yang, Q.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.979 Å)
Cite: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
Descriptor: Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside
Authors:Ma, X, Yuru, T, Yunfeng, L, Jiang, T.
Deposit date:2023-04-24
Release date:2023-11-01
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Sodium channel protein type 8 subunit alpha, ...
Authors:Li, Y, Jiang, D.
Deposit date:2022-09-24
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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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BU of 8gz2 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin
Descriptor: (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, ...
Authors:Li, Y, Jiang, D.
Deposit date:2022-09-24
Release date:2023-03-08
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: DNA (5'-D(P*GP*GP*GP*TP*CP*GP*GP*TP*GP*CP*CP*TP*TP*A)-3'), RecQ, ZINC ION
Authors:Voter, A.F, Keck, J.L.
Deposit date:2018-03-19
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19286251 Å)
Cite: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
Descriptor: 4-IODOPYRAZOLE, 5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX, nitrophorin 4
Authors:Berry, R.E, Ding, X.D, Weichsel, A, Montfort, W.R, Walker, F.A.
Deposit date:2002-08-30
Release date:2002-09-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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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數據於2024-11-06公開中

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