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7VW7
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BU of 7vw7 by Molmil
Crystal structure of the 2 ADP-AlF4-bound V1 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, K, Shekhar, M, Gupta, C, Singharoy, A, Murata, T.
Deposit date:2021-11-09
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.818 Å)
Cite:Revealing a Hidden Intermediate of Rotatory Catalysis with X-ray Crystallography and Molecular Simulations.
Acs Cent.Sci., 8, 2022
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
Descriptor: Flpp3
Authors:Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
Deposit date:2019-07-03
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
6M0S
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BU of 6m0s by Molmil
3.6A Yeast Vo state3 prime
Descriptor: Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, vacuolar isoform, ...
Authors:Roh, S.H, Shekhar, M, Pintilie, G, Chipot, C, Wilkens, S, SIngharoy, A, Chiu, W.
Deposit date:2020-02-22
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex.
Sci Adv, 6, 2020
6M0R
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BU of 6m0r by Molmil
2.7A Yeast Vo state3
Descriptor: (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, PYROPHOSPHATE, ...
Authors:Roh, S.H, Shekhar, M, Pintilie, G, Chipot, C, Wilkens, S, Singharoy, A, Chiu, W.
Deposit date:2020-02-22
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex.
Sci Adv, 6, 2020
5SVR
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BU of 5svr by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist A-317491
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, MAGNESIUM ION, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVJ
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BU of 5svj by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel in the closed, apo state
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVQ
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BU of 5svq by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist TNP-ATP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, P2X purinoceptor 3, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVM
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BU of 5svm by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel bound to agonist 2-methylthio-ATP in the desensitized state
Descriptor: 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.093 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVP
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BU of 5svp by Molmil
Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state
Descriptor: 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVL
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BU of 5svl by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, closed (desensitized) state
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVS
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BU of 5svs by Molmil
Anomalous Mn2+ signal reveals a divalent cation-binding site in the head domain of the ATP-gated human P2X3 ion channel
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.025 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVK
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BU of 5svk by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVT
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BU of 5svt by Molmil
Anomalous Cs+ signal reveals the site of Na+ ion entry to the channel pore of the human P2X3 ion channel through the extracellular fenestrations
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, P2X purinoceptor 3, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.794 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5U4I
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BU of 5u4i by Molmil
Structural Basis of Co-translational Quality Control by ArfA and RF2 Bound to Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Zeng, F, Chen, Y, Remis, J, Shekhar, M, Phillips, J.C, Tajkhorshid, E, Jin, H.
Deposit date:2016-12-04
Release date:2017-01-11
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome.
Nature, 541, 2017
5U4J
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BU of 5u4j by Molmil
Structural Basis of Co-translational Quality Control by ArfA and RF2 Bound to Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S12, ...
Authors:Zeng, F, Chen, Y, Remis, J, Shekhar, M, Phillips, J.C, Tajkhorshid, E, Jin, H.
Deposit date:2016-12-04
Release date:2017-01-11
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome.
Nature, 541, 2017
5VOU
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BU of 5vou by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
5VOT
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BU of 5vot by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
5VOV
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BU of 5vov by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
7UMW
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BU of 7umw by Molmil
Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
Descriptor: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UM8
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BU of 7um8 by Molmil
Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
Descriptor: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-06
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UMY
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BU of 7umy by Molmil
Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
Descriptor: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UMX
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BU of 7umx by Molmil
Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
Descriptor: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
6PV6
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BU of 6pv6 by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
Deposit date:2019-07-19
Release date:2020-08-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
8E5S
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BU of 8e5s by Molmil
X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an occluded state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ray, S, Gaudet, R.
Deposit date:2022-08-22
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:High-resolution structures with bound Mn 2+ and Cd 2+ map the metal import pathway in an Nramp transporter.
Elife, 12, 2023
8E60
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BU of 8e60 by Molmil
X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an occluded, manganese-bound state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ray, S, Gaudet, R.
Deposit date:2022-08-22
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:High-resolution structures with bound Mn 2+ and Cd 2+ map the metal import pathway in an Nramp transporter.
Elife, 12, 2023

 

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