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8FDM
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BU of 8fdm by Molmil
Human Hemoglobin in Complex with Nitrosomethane
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
7BP6
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BU of 7bp6 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
Descriptor: Histone H2A.6, Histone H2B.1, NRP1-CTAD
Authors:Luo, Q, Baihui, W.
Deposit date:2020-03-21
Release date:2020-11-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7TDQ
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BU of 7tdq by Molmil
Crystal structure of KSHV KicGAS/ORF52
Descriptor: Tegument protein ORF52
Authors:Yin, Q, Tian, Y, Bhowmik, D, Zhu, F.
Deposit date:2022-01-02
Release date:2022-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of higher order oligomerization of KSHV inhibitor of cGAS.
Proc.Natl.Acad.Sci.USA, 119, 2022
3NNM
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BU of 3nnm by Molmil
Halogenase domain from CurA module (crystal form IV)
Descriptor: CurA, FORMIC ACID
Authors:Khare, D, Smith, J.L.
Deposit date:2010-06-23
Release date:2010-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
7VOC
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BU of 7voc by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
Descriptor: (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Cytosylglucuronate decarboxylase, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2021-10-13
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62005424 Å)
Cite:Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7VOB
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BU of 7vob by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
Descriptor: CHLORIDE ION, Cytosylglucuronate decarboxylase, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2021-10-13
Release date:2022-05-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.092241 Å)
Cite:Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
8PTO
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BU of 8pto by Molmil
Structure of Rho pentamer in complex with Rof and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein rof, Transcription termination factor Rho
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-07-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024
8PTG
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BU of 8ptg by Molmil
Structure of the transcription termination factor Rho bound to RNA at the PBS and SBS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-07-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024
8PTP
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BU of 8ptp by Molmil
Structure of Rho pentamer in complex with Rof
Descriptor: Protein rof, Transcription termination factor Rho
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-07-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024
8PTM
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BU of 8ptm by Molmil
Structure of the transcription termination factor Rho in complex with Rof and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein rof, ...
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-07-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024
8PTN
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BU of 8ptn by Molmil
Structure of the transcription termination factor Rho in complex with Rof
Descriptor: Protein rof, Transcription termination factor Rho
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-07-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024
7VZN
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BU of 7vzn by Molmil
The structure of GdmN in complex with carbamoyl adenylate intermediate and 20-O-methyl-19-chloroproansamitocin
Descriptor: (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-16
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VX0
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BU of 7vx0 by Molmil
The structure of GdmN complex with ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-12
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYP
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BU of 7vyp by Molmil
The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-15
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYJ
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BU of 7vyj by Molmil
The structure of GdmN in complex with carbamoyl adenylate intermediate
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7V4X
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BU of 7v4x by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.
Deposit date:2021-08-15
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V50
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BU of 7v50 by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.
Deposit date:2021-08-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V51
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BU of 7v51 by Molmil
BVMO_negative mutant D432V
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.-L.
Deposit date:2021-08-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
2REF
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BU of 2ref by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with malonyl-CoA
Descriptor: ACETYL COENZYME *A, CurA
Authors:Geders, T.W, Smith, J.L.
Deposit date:2007-09-26
Release date:2007-11-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
2REE
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BU of 2ree by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula
Descriptor: CHLORIDE ION, CurA, GLYCEROL, ...
Authors:Geders, T.W, Smith, J.L.
Deposit date:2007-09-26
Release date:2007-11-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
4IH5
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BU of 4ih5 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2012-12-18
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
6KA2
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BU of 6ka2 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum in complex with TBN
Descriptor: (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline, Thebaine synthase 2
Authors:Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-06-20
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
4IH6
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BU of 4ih6 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase
Authors:Harris, S.F, Wong, A.
Deposit date:2012-12-18
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IH7
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BU of 4ih7 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION
Authors:Harris, S.F, Wong, A.
Deposit date:2012-12-18
Release date:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
6KA3
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BU of 6ka3 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum
Descriptor: PALMITIC ACID, SULFATE ION, Thebaine synthase 2
Authors:Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-06-20
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020

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