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6F2B
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BU of 6f2b by Molmil
Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, L-lysine 3-hydroxylase
Authors:Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K.
Deposit date:2017-11-24
Release date:2018-11-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
7O55
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BU of 7o55 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2231
Descriptor: Inhibitor MI-2231, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-04-07
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
4LNN
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BU of 4lnn by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of apo form of GS
Descriptor: Glutamine synthetase, MAGNESIUM ION, SULFATE ION
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
7OBV
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BU of 7obv by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2248
Descriptor: Inhibitor MI-2248, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-04-23
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
4LHQ
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BU of 4lhq by Molmil
Ricin A chain bound to camelid nanobody (VHH8)
Descriptor: Camelid nanobody, Ricin
Authors:Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
Deposit date:2013-07-01
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
8RST
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BU of 8rst by Molmil
Rap from bacteriophage Phi3T in presence of pheromone SRGHTS
Descriptor: Glycerol ethoxylate, Rap3T, SRGHTS, ...
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing
Plos Biol., 2024
7O0Y
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BU of 7o0y by Molmil
ABC transporter NosDFY, nucleotide-free in GDN
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
8FE7
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BU of 8fe7 by Molmil
Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (SMG9) and UDP-GlcNAc
Descriptor: Nonsense-mediated mRNA decay factor SMG9, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Xie, J, Jiang, J.
Deposit date:2022-12-05
Release date:2023-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Motif-dependent binding on the intervening domain regulates O-GlcNAc transferase.
Nat.Chem.Biol., 19, 2023
7O15
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BU of 7o15 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
8FE6
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BU of 8fe6 by Molmil
Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide and UDP-GlcNAc
Descriptor: A motif peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Xie, J, Jiang, J.
Deposit date:2022-12-05
Release date:2023-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Motif-dependent binding on the intervening domain regulates O-GlcNAc transferase.
Nat.Chem.Biol., 19, 2023
8FNJ
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BU of 8fnj by Molmil
Structure of E138K/G140A HIV-1 intasome with Dolutegravir bound
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
Deposit date:2022-12-27
Release date:2023-08-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
7O04
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BU of 7o04 by Molmil
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-03-25
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
To be published
8FNN
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BU of 8fnn by Molmil
Structure of E138K/G140A/Q148K HIV-1 intasome with Dolutegravir bound
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
Deposit date:2022-12-27
Release date:2023-08-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
6F4G
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BU of 6f4g by Molmil
'Crystal structure of the Drosophila melanogaster SNF/U2A'/U2-SL4 complex
Descriptor: CHLORIDE ION, Probable U2 small nuclear ribonucleoprotein A', SULFATE ION, ...
Authors:Weber, G, DeKoster, G, Holton, N, Hall, K.B, Wahl, M.C.
Deposit date:2017-11-29
Release date:2018-06-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular principles underlying dual RNA specificity in the Drosophila SNF protein.
Nat Commun, 9, 2018
4MKJ
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BU of 4mkj by Molmil
Crystal structure of L-methionine gamma-lyase from Citrobacter freundii modified by allicine
Descriptor: Methionine gamma-lyase, PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Zakomirdina, L.N, Demidkina, T.V.
Deposit date:2013-09-05
Release date:2014-11-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme.
Acta Crystallogr.,Sect.D, 70, 2014
7O16
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BU of 7o16 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
8RSV
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BU of 8rsv by Molmil
Rap from bacteriophage Phi3T in presence of pheromone RRGHTAS
Descriptor: Glycerol ethoxylate, Pheromone RRGHTAS, Rap3T
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing
Plos Biol., 2024
7O14
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BU of 7o14 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 1
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7O7M
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BU of 7o7m by Molmil
(h-alpha2M)4 native II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ...
Authors:Luque, D, Goulas, T, Mata, C.P, Mendes, S.R, Gomis-Ruth, F.X, Caston, J.R.
Deposit date:2021-04-13
Release date:2022-04-13
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Cryo-EM structures show the mechanistic basis of pan-peptidase inhibition by human alpha 2 -macroglobulin.
Proc.Natl.Acad.Sci.USA, 119, 2022
8FN7
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BU of 8fn7 by Molmil
Structure of WT HIV-1 intasome bound to Dolutegravir
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
Deposit date:2022-12-27
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
6F2R
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BU of 6f2r by Molmil
A heterotetramer of human HspB2 and HspB3
Descriptor: Heat shock protein beta-2, Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-2, HspB2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2, ...
Authors:Clark, A.R, Cole, A.R, Boelens, W.C, Keep, N.H, Slingsby, C.
Deposit date:2017-11-27
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Terminal Regions Confer Plasticity to the Tetrameric Assembly of Human HspB2 and HspB3.
J.Mol.Biol., 430, 2018
8RSU
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BU of 8rsu by Molmil
Rap from bacteriophage Phi3T in presence of pheromone RRGHTA
Descriptor: Glycerol ethoxylate, Pheromone RRGHTA, Rap3T
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing
Plos Biol., 2024
7NYS
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BU of 7nys by Molmil
monomeric acetyl-CoA synthase in closed conformation with carbon monoxide bound to the Ni proximal of cluster A
Descriptor: $l^{3}-oxidanylidynemethylnickel, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CHLORIDE ION, ...
Authors:Kreibich, J, Jeoung, J.H, Dobbek, H.
Deposit date:2021-03-23
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase
To Be Published
8FNL
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BU of 8fnl by Molmil
Structure of E138K/Q148K HIV-1 intasome with Dolutegravir bound
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
Deposit date:2022-12-27
Release date:2023-08-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FND
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BU of 8fnd by Molmil
Structure of E138K HIV-1 intasome with Dolutegravir bound
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
Deposit date:2022-12-27
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023

224004

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