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8SI8
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BU of 8si8 by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor VER155008 in closed state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-04-14
Release date:2023-05-17
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8S9D
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BU of 8s9d by Molmil
C143S variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S97
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BU of 8s97 by Molmil
C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S90
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BU of 8s90 by Molmil
Cryo-EM structure of octameric human CALHM1 (I109W) in complex with ruthenium red (C1)
Descriptor: Calcium homeostasis modulator protein 1, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
Authors:Syrjanen, J.L, Furukawa, H.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.73 Å)
Cite:Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
8S8Z
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BU of 8s8z by Molmil
Cryo-EM structure of octameric human CALHM1 (I109W) in complex with ruthenium red
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator protein 1, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
Authors:Syrjanen, J.L, Furukawa, H.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
8S9B
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BU of 8s9b by Molmil
Cryo-EM structure of Nav1.7 with LCM
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-03-27
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
2LWG
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BU of 2lwg by Molmil
NMR Structure of the Self-Complementary 10 mer DNA Oligonucleotide 5'-GGATATATCC-3'.
Descriptor: DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3')
Authors:Rettig, M, Germann, M.W, Wilson, W, Wang, S.
Deposit date:2012-07-31
Release date:2013-01-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
8S9C
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BU of 8s9c by Molmil
Cryo-EM structure of Nav1.7 with CBZ
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-03-27
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
2LWH
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BU of 2lwh by Molmil
NMR Structure of the Self-Complementary 10 mer DNA Duplex 5'-GGATATATCC-3' in Complex with Netropsin
Descriptor: DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3'), NETROPSIN
Authors:Rettig, M, Germann, M.W, Wilson, W, Wang, S.
Deposit date:2012-07-31
Release date:2013-01-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis for sequence-dependent induced DNA bending.
Chembiochem, 14, 2013
8SGO
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BU of 8sgo by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus pregnenolone sulfate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Legesse, D.H, Fan, C, Teng, J, Zhuang, Y, Howard, R.J, Noviello, C.M, Lindahl, E, Hibbs, R.E.
Deposit date:2023-04-12
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Structural insights into opposing actions of neurosteroids on GABA A receptors.
Nat Commun, 14, 2023
8SI9
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BU of 8si9 by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus allopregnanolone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Legesse, D.H, Hibbs, R.E.
Deposit date:2023-04-14
Release date:2023-08-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into opposing actions of neurosteroids on GABA A receptors.
Nat Commun, 14, 2023
8SG6
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BU of 8sg6 by Molmil
SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP
Descriptor: 3C-like proteinase nsp5, GLYCEROL
Authors:Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T.
Deposit date:2023-04-11
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease.
Nat Commun, 14, 2023
8SC3
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BU of 8sc3 by Molmil
Human OCT1 bound to fenoterol in inward-open conformation
Descriptor: Fenoterol, Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
8SC4
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BU of 8sc4 by Molmil
Human OCT1 bound to metformin in inward-open conformation
Descriptor: Metformin, Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
8SGT
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BU of 8sgt by Molmil
Cryo-EM structure of human NCX1 in Ca2+ bound, activated state (group II in the presence of 0.5 mM Ca2+)
Descriptor: CALCIUM ION, Fab heavy chain, Fab light chain, ...
Authors:Xue, J, Jiang, Y.
Deposit date:2023-04-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural mechanisms of the human cardiac sodium-calcium exchanger NCX1.
Nat Commun, 14, 2023
8SC1
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BU of 8sc1 by Molmil
Human OCT1 (Apo) in inward-open conformation
Descriptor: Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
8SC2
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BU of 8sc2 by Molmil
Human OCT1 bound to diltiazem in inward-open conformation
Descriptor: Diltiazem, Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
7QZN
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BU of 7qzn by Molmil
Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amine Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
8SEB
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BU of 8seb by Molmil
Cryo-EM structure of a single loaded human UBA7-UBE2L6-ISG15 adenylate complex
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SC6
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BU of 8sc6 by Molmil
Human OCT1 bound to thiamine in inward-open conformation
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
7QZL
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BU of 7qzl by Molmil
Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ...
Authors:Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
8SGJ
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BU of 8sgj by Molmil
Cryo-EM structure of human NCX1 in apo inactivated state
Descriptor: CALCIUM ION, Fab heavy chain, Fab light chain, ...
Authors:Xue, J, Jiang, Y.
Deposit date:2023-04-12
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mechanisms of the human cardiac sodium-calcium exchanger NCX1.
Nat Commun, 14, 2023
8SEA
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BU of 8sea by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 1)
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SE9
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BU of 8se9 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2)
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
7S4S
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BU of 7s4s by Molmil
Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CoV11 heavy chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-09-09
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023

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PDB entries from 2024-10-09

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