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6GEF
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BU of 6gef by Molmil
X-ray structure of the Yersinia pseudotuberculosis ATPase DotB
Descriptor: Type IV secretion system protein DotB
Authors:Prevost, M.S, Waksman, G.
Deposit date:2018-04-26
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-ray crystal structures of the type IVb secretion system DotB ATPases.
Protein Sci., 27, 2018
6T7M
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BU of 6t7m by Molmil
Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-22
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
8C3T
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BU of 8c3t by Molmil
Structure of the GIsul2 transposon excisionase
Descriptor: AlpA family phage regulatory protein
Authors:Smyshlyaev, G, Arinkin, V, Barabas, O.
Deposit date:2022-12-28
Release date:2024-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Cryo-EM structures of transposon end complexes explain antibiotic resistance transfer across diverse bacteria
To Be Published
6MBE
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BU of 6mbe by Molmil
Human Mcl-1 in complex with the designed peptide dM7
Descriptor: CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
5YGP
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BU of 5ygp by Molmil
Human TNFRSF25 death domain mutant-D412E
Descriptor: SULFATE ION, TNFRSF25 death domain, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.C.
Deposit date:2017-09-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
7ZAS
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BU of 7zas by Molmil
Crystal structure of cleaved Iripin-4 serpin from tick Ixodes ricinus
Descriptor: CHLORIDE ION, Iripin-4 serpin
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
3T94
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BU of 3t94 by Molmil
Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase (MTAP) II complexed with 5'-deoxy-5'-methylthioadenosine and sulfate
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5'-methylthioadenosine phosphorylase (MtaP), SULFATE ION
Authors:Zhang, Y, Ealick, S.E.
Deposit date:2011-08-02
Release date:2011-08-24
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:A corrected space group for Sulfolobus sulfataricus 5'-deoxy-5'-methylthioadenosine phosphorylase II.
Acta Crystallogr.,Sect.D, 68, 2012
3NSG
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BU of 3nsg by Molmil
Crystal Structure of OmpF, an Outer Membrane Protein from Salmonella typhi
Descriptor: CITRATE ANION, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Balasubramaniam, D, Arockiasamy, A, Sharma, A, Krishnaswamy, S.
Deposit date:2010-07-01
Release date:2011-07-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Asymmetric pore occupancy in crystal structure of OmpF porin from Salmonella typhi
J.Struct.Biol., 178, 2012
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-21
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6PT8
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BU of 6pt8 by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid
Descriptor: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ...
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
6OO8
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BU of 6oo8 by Molmil
Dehaloperoxidase B in complex with substrate pentachlorophenol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2020-04-29
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
8A8L
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BU of 8a8l by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
Descriptor: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ...
Authors:Snee, M, Katariya, M, Levy, C.
Deposit date:2022-06-23
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
6PTF
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BU of 6ptf by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State
Descriptor: UPF0284 protein MJ1598
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
5JPJ
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BU of 5jpj by Molmil
Crystal structure of 6aJL2-R24G
Descriptor: 6aJL2 protein
Authors:Pelaez-Aguilar, A.E, Diaz-Vilchis, A, Amero, C, Becerril, B, Rudino-Pinera, E.
Deposit date:2016-05-03
Release date:2017-06-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 6aJL2-R24G light chain variable domain: Does crystal packing explain amyloid fibril formation?
Biochem Biophys Rep, 20, 2019
8A6W
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BU of 8a6w by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase
Authors:Snee, M, Amadi, C, Levy, C.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
To Be Published
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
Descriptor: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
8A9P
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BU of 8a9p by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
Descriptor: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-06-29
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published
6Q29
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BU of 6q29 by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposted dose 2.5 MGy)
Descriptor: COPPER (II) ION, Laccase, TETRAETHYLENE GLYCOL, ...
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2019-08-07
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The beta-hairpin from the Thermus thermophilus HB27 laccase works as a pH-dependent switch to regulate laccase activity.
J.Struct.Biol., 213, 2021
6ONK
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BU of 6onk by Molmil
Dehaloperoxidase B in complex with substrate 4-Cl-cresol
Descriptor: 1,2-ETHANEDIOL, 4-chloro-2-methylphenol, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6ONR
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BU of 6onr by Molmil
Dehaloperoxidase B in complex with substrate 4-methyl-cresol
Descriptor: 1,2-ETHANEDIOL, 2,4-dimethylphenol, DI(HYDROXYETHYL)ETHER, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6OO1
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BU of 6oo1 by Molmil
Dehaloperoxidase B in complex with substrate o-cresol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6OO6
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BU of 6oo6 by Molmil
Dehaloperoxidase B in complex with substrate p-cresol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, P-CRESOL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6O50
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BU of 6o50 by Molmil
Binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019

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