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6Y3E
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BU of 6y3e by Molmil
Scaffold-ligand complex with ligand unmodelled
Descriptor: 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, PHOSPHATE ION, ...
Authors:Zacharchenko, T, Lian, L.Y.
Deposit date:2020-02-18
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
4AF8
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BU of 4af8 by Molmil
The structural basis for metacaspase substrate specificity and activation
Descriptor: CHLORIDE ION, METACASPASE MCA2, SODIUM ION
Authors:McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C.
Deposit date:2012-01-18
Release date:2012-05-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7SYV
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BU of 7syv by Molmil
Structure of the wt IRES eIF5B-containing pre-48S initiation complex, open conformation. Structure 14(wt)
Descriptor: 18S rRNA, 40S ribosomal protein S2, 40S ribosomal protein S21, ...
Authors:Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J.
Deposit date:2021-11-25
Release date:2022-07-20
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
7KU9
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BU of 7ku9 by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site, two molecules of F6F inhibitor at the enzyme alpha-site and another F6F molecule at the enzyme beta-site at 1.40 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-11-24
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site, two molecules of F6F inhibitor at the enzyme alpha-site and another F6F molecule at the enzyme beta-site at 1.40 Angstrom resolution.
To be Published
7OCS
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BU of 7ocs by Molmil
Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-D16A from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Tam, H.K, Mueller, V, Pos, K.M.
Deposit date:2021-04-28
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
4RQ6
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BU of 4rq6 by Molmil
Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MgCl2 for 80 s
Descriptor: ACETATE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*A)-3'), ...
Authors:Vyas, R, Suo, Z.
Deposit date:2014-10-31
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
6YXX
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BU of 6yxx by Molmil
State A of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
Descriptor: 12S ribosomal RNA, 50S ribosomal protein L13, putative, ...
Authors:Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2020-05-04
Release date:2020-10-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
6Z5J
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BU of 6z5j by Molmil
Arrangement of the matrix protein M1 in influenza A/Hong Kong/1/1968 VLPs (HA,NA,M1,M2)
Descriptor: Matrix protein 1
Authors:Peukes, J, Xiong, X, Erlendsson, S, Qu, K, Wan, W, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2020-05-26
Release date:2020-10-14
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (8 Å)
Cite:The native structure of the assembled matrix protein 1 of influenza A virus.
Nature, 587, 2020
3WA3
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BU of 3wa3 by Molmil
Crystal structure of copper amine oxidase from arthrobacter globiformis in N2 condition
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
5UJU
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BU of 5uju by Molmil
Crystal structure of NAD-dependent aldehyde dehydrogenase from Burkholderia multivorans
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, NAD-dependent aldehyde dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-01-19
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of NAD-dependent aldehyde dehydrogenase from Burkholderia multivorans
TO BE PUBLISHED
3WXO
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BU of 3wxo by Molmil
Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942
Descriptor: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Wada, K, Tada, T, Kamachi, S.
Deposit date:2014-08-04
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of isoniazid-bound KatG catalase-peroxidase from Synechococcus elongatus PCC7942.
Febs J., 282, 2015
6YUX
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BU of 6yux by Molmil
Crystal structure of Malus domestica Double Bond Reductase (MdDBR) ternary complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
Authors:Caliandro, R, Polsinelli, I, Demitri, N, Benini, S.
Deposit date:2020-04-27
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
6YXY
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BU of 6yxy by Molmil
State B of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
Descriptor: 12S ribosomal RNA, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2020-05-04
Release date:2020-10-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
6ZIV
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BU of 6ziv by Molmil
Crystal structure of a Beta-glucosidase from Alicyclobacillus acidiphilus
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, ...
Authors:Gourlay, L.J.
Deposit date:2020-06-26
Release date:2020-07-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Producing natural vanilla extract from green vanilla beans using a beta-glucosidase from Alicyclobacillus acidiphilus.
J.Biotechnol., 329, 2021
6Z5T
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BU of 6z5t by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION
Authors:Zorzini, V, Rack, J, Ahel, I.
Deposit date:2020-05-27
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
8UGI
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BU of 8ugi by Molmil
High resolution in-situ structure of typeA supercomplex in respiratory chain (I1III2IV1,composite)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Zheng, W, Zhang, K, Zhu, J.
Deposit date:2023-10-05
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 2024
6YT4
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BU of 6yt4 by Molmil
Crystal structure of the N112A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
Authors:Kovalev, K, Maliar, N, Astashkin, R, Gordeliy, V.
Deposit date:2020-04-23
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the N112A Mutant of the Light-Driven Sodium Pump KR2
Crystals, 2020
8UGR
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BU of 8ugr by Molmil
In-situ structure of typeX supercomplex in respiratory chain (composite)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Zheng, W, Zhang, K, Zhu, J.
Deposit date:2023-10-06
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 2024
8UGN
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BU of 8ugn by Molmil
In-situ structure of typeO supercomplex in respiratory chain (composite)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Zheng, W, Zhang, K, Zhu, J.
Deposit date:2023-10-05
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 2024
8UGJ
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BU of 8ugj by Molmil
In-situ structure of typeB supercomplex in respiratory chain (composite)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Zheng, W, Zhang, K, Zhu, J.
Deposit date:2023-10-05
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 2024
5SXX
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BU of 5sxx by Molmil
Crystal structure of the E198A variant of Burkholderia pseudomallei catalase-peroxidase KatG with INH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
5SYU
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BU of 5syu by Molmil
Crystal structure of Burkholderia pseudomallei KatG E242Q variant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-12
Release date:2016-09-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
5SXR
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BU of 5sxr by Molmil
Crystal structure of B. pseudomallei KatG with NAD bound
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
5T03
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BU of 5t03 by Molmil
Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
Authors:Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
5SXQ
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BU of 5sxq by Molmil
Crystal structure of B. pseudomallei KatG with isonicotinic acid hydrazide bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010

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