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8IUM
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BU of 8ium by Molmil
Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8IUK
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BU of 8iuk by Molmil
Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex
Descriptor: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
6ZWC
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BU of 6zwc by Molmil
Z-SBTub2 photoswitch bound to tubulin-DARPin D1 complex
Descriptor: 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J.
Deposit date:2020-07-28
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton.
Cell Chem Biol, 28, 2021
5JRD
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BU of 5jrd by Molmil
E. coli Hydrogenase-1 variant P508A
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A.
Deposit date:2016-05-06
Release date:2017-03-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Importance of the Active Site "Canopy" Residues in an O2-Tolerant [NiFe]-Hydrogenase.
Biochemistry, 56, 2017
6P9P
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BU of 6p9p by Molmil
E.coli LpxA in complex with Compound 1
Descriptor: 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, ...
Authors:Ma, X, Shia, S, Ornelas, E.
Deposit date:2019-06-10
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9R
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BU of 6p9r by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Ma, X, Shia, S, Ornelas, E.
Deposit date:2019-06-10
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9T
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BU of 6p9t by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Ma, X, Shia, S, Ornelas, E.
Deposit date:2019-06-10
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
7LBA
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BU of 7lba by Molmil
E. coli Agmatinase
Descriptor: Agmatinase, MANGANESE (II) ION
Authors:Chitrakar, I, Ahmed, S.F, Torelli, A.T, French, J.B.
Deposit date:2021-01-07
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the E. coli agmatinase, SPEB.
Plos One, 16, 2021
8DAI
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BU of 8dai by Molmil
E. coli DHFR complex with NADP+ and 10-methylfolate
Descriptor: Dihydrofolate reductase, MANGANESE (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Greisman, J.B, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-06-13
Release date:2023-06-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
8G4Z
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BU of 8g4z by Molmil
E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R.
Deposit date:2023-02-10
Release date:2024-01-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
4YLP
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BU of 4ylp by Molmil
E. coli Transcription Initiation Complex - 16-bp spacer and 5-nt RNA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, Steitz, T.A.
Deposit date:2015-03-05
Release date:2015-04-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Crystal Structures of the E. coli Transcription Initiation Complexes with a Complete Bubble.
Mol.Cell, 58, 2015
4YLO
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BU of 4ylo by Molmil
E. coli Transcription Initiation Complex - 16-bp spacer and 4-nt RNA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, Steitz, T.A.
Deposit date:2015-03-05
Release date:2015-04-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (6 Å)
Cite:Crystal Structures of the E. coli Transcription Initiation Complexes with a Complete Bubble.
Mol.Cell, 58, 2015
4YLN
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BU of 4yln by Molmil
E. coli Transcription Initiation Complex - 17-bp spacer and 4-nt RNA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, Steitz, T.A.
Deposit date:2015-03-05
Release date:2015-04-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Crystal Structures of the E. coli Transcription Initiation Complexes with a Complete Bubble.
Mol.Cell, 58, 2015
3MV1
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BU of 3mv1 by Molmil
E.Coli (lacZ) beta-galactosidase (R599A) in complex with Guanidinium
Descriptor: Beta-galactosidase, DIMETHYL SULFOXIDE, GUANIDINE, ...
Authors:Dugdale, M.L, Vance, M, Driedger, M.L, Nibber, A, Tran, A, Huber, R.E.
Deposit date:2010-05-03
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Importance of Arg-599 of b-galactosidase (Escherichia coli) as an anchor for the open conformations of Phe-601 and the active-site loop
Biochem.Cell Biol., 88, 2010
3MUY
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BU of 3muy by Molmil
E. coli (lacZ) beta-galactosidase (R599A)
Descriptor: Beta-D-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Dugdale, M.L, Vance, M, Driedger, M.L, Nibber, A, Tran, A, Huber, R.E.
Deposit date:2010-05-03
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Importance of Arg-599 of beta-galactosidase (Escherichia coli) as an anchor for the open conformations of Phe-601 and the active-site loop
Biochem.Cell Biol., 88, 2010
3BFI
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BU of 3bfi by Molmil
E. Coli Thymidylate Synthase Y209M mutant complexed with 5-nitro-dUMP
Descriptor: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-21
Release date:2008-12-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:E.Coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
To be Published
7T20
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BU of 7t20 by Molmil
E. coli DnaB bound to ssDNA and AMPPNP
Descriptor: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2021-12-02
Release date:2022-12-14
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
7T21
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BU of 7t21 by Molmil
E. coli DnaB bound to ssDNA and ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2021-12-02
Release date:2023-01-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
7T22
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BU of 7t22 by Molmil
E. coli DnaB bound to three DnaG C-terminal domains, ssDNA, ADP and AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2021-12-02
Release date:2023-01-18
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
2WDQ
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BU of 2wdq by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with carboxin bound
Descriptor: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-25
Release date:2009-08-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Escherichia coli succinate:quinone oxidoreductase with an occupied and empty quinone-binding site.
J. Biol. Chem., 284, 2009
2WDR
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BU of 2wdr by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with pentachlorophenol bound
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-25
Release date:2009-08-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
2WDV
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BU of 2wdv by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with an empty quinone- binding pocket
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-26
Release date:2009-08-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
4XKU
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BU of 4xku by Molmil
E coli BFR variant Y114F
Descriptor: Bacterioferritin, SULFATE ION
Authors:Hemmings, A.M, Le Brun, N.E, Bradley, J.M.
Deposit date:2015-01-12
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Three Aromatic Residues are Required for Electron Transfer during Iron Mineralization in Bacterioferritin.
Angew.Chem.Int.Ed.Engl., 54, 2015
9CKT
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BU of 9ckt by Molmil
X-ray diffraction structure of papain co-crystallized with E-64
Descriptor: METHANOL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2024-07-09
Release date:2025-06-04
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enzymatic combinatorial synthesis of E-64 and related cysteine protease inhibitors.
Nat.Chem.Biol., 2025
6SLB
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BU of 6slb by Molmil
Crystal structure of isomerase PaaG with trans-3,4-didehydroadipyl-CoA
Descriptor: (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid, Enoyl-CoA hydratase/carnithine racemase
Authors:Saleem-Batcha, R, Spieker, M, Teufel, R.
Deposit date:2019-08-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019

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