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6JQ1
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BU of 6jq1 by Molmil
Crystal Structure of DdrO from Deinococcus geothermalis
Descriptor: LITHIUM ION, Transcriptional regulator, XRE family
Authors:Lu, H, Hua, Y, Zhao, Y.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and DNA damage-dependent derepression mechanism for the XRE family member DG-DdrO.
Nucleic Acids Res., 47, 2019
8HFW
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BU of 8hfw by Molmil
The crystal structure of alpha/beta fold hydrolase
Descriptor: Alpha/beta fold hydrolase
Authors:Lu, H, Xu, Y.
Deposit date:2022-11-12
Release date:2023-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The crystal structure of alpha/beta fold hydrolase
To Be Published
7XIT
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BU of 7xit by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
Descriptor: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ...
Authors:Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T.
Deposit date:2022-04-14
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
7XIS
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BU of 7xis by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
Descriptor: (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate, MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ...
Authors:Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T.
Deposit date:2022-04-14
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
7XJ5
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BU of 7xj5 by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
Descriptor: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ...
Authors:Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T.
Deposit date:2022-04-15
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
7XIU
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BU of 7xiu by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
Descriptor: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ...
Authors:Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T.
Deposit date:2022-04-14
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
7XJ7
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BU of 7xj7 by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
Descriptor: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ...
Authors:Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T.
Deposit date:2022-04-15
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
7XJ4
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BU of 7xj4 by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
Descriptor: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate, ...
Authors:Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T.
Deposit date:2022-04-15
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
8SLN
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BU of 8sln by Molmil
Crystal structure of Deinococcus geothermalis PprI complexed with ssDNA
Descriptor: DNA (29-MER), MANGANESE (II) ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
Descriptor: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
2F2C
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BU of 2f2c by Molmil
X-ray structure of human CDK6-Vcyclinwith the inhibitor aminopurvalanol
Descriptor: (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Cell division protein kinase 6, Cyclin homolog, ...
Authors:Schulze-Gahmen, U, Lu, H.
Deposit date:2005-11-16
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition.
J.Med.Chem., 49, 2006
2EUF
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BU of 2euf by Molmil
X-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991
Descriptor: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, ACETATE ION, CALCIUM ION, ...
Authors:Schulze-Gahmen, U, Lu, H.
Deposit date:2005-10-28
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition.
J.Med.Chem., 49, 2006
2HY8
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BU of 2hy8 by Molmil
PAK1 complex with ST2001
Descriptor: (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE, Serine/threonine-protein kinase PAK 1
Authors:Schulze-Gahmen, U, Lu, H.
Deposit date:2006-08-04
Release date:2006-11-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Complex Between Human Pak1-kinase and 3-Hydroxystaurosporine
To be Published
2JJY
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BU of 2jjy by Molmil
Crystal structure of Francisella tularensis enoyl reductase (ftFabI) with bound NAD
Descriptor: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Luckner, S.R, Lu, H, Truglio, J.J, Tonge, P.J, Kisker, C.
Deposit date:2008-04-25
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Slow-Onset Inhibition of the Fabi Enoyl Reductase from Francisella Tularensis: Residence Time and in Vivo Activity
Acs Chem.Biol., 4, 2009
4EWJ
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BU of 4ewj by Molmil
structure of the enloase from Streptococcus suis serotype 2
Descriptor: Enolase 2
Authors:Lu, Q, Lu, H, Qi, J, Lu, G, Gao, G.F.
Deposit date:2012-04-27
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:An octamer of enolase from Streptococcus suis.
Protein Cell, 3, 2012
7ALN
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BU of 7aln by Molmil
Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ...
Authors:Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D.
Deposit date:2020-10-06
Release date:2021-04-28
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity.
Nat Commun, 12, 2021
1MNA
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BU of 1mna by Molmil
Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.0
Descriptor: polyketide synthase IV
Authors:Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M.
Deposit date:2002-09-05
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
1MNQ
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BU of 1mnq by Molmil
Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.4
Descriptor: polyketide synthase IV
Authors:Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M.
Deposit date:2002-09-05
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
1MO2
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BU of 1mo2 by Molmil
Thioesterase Domain from 6-Deoxyerythronolide Synthase (DEBS TE), pH 8.5
Descriptor: Erythronolide synthase, modules 5 and 6
Authors:Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M.
Deposit date:2002-09-05
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
1MN6
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BU of 1mn6 by Molmil
Thioesterase Domain from Picromycin Polyketide Synthase, pH 7.6
Descriptor: polyketide synthase IV
Authors:Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M.
Deposit date:2002-09-05
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
5T0L
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BU of 5t0l by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ...
Authors:Thomas, S.B, Chen, Z, Lu, H, Li, Y.
Deposit date:2016-08-16
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design.
ACS Med Chem Lett, 7, 2016
2JNR
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BU of 2jnr by Molmil
Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide
Descriptor: ENV polyprotein, VIR165
Authors:Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F.
Deposit date:2007-02-01
Release date:2007-05-08
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
4GYG
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BU of 4gyg by Molmil
Crystal structure of the Rio2 kinase from Chaetomium thermophilum
Descriptor: Rio2 kinase
Authors:Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N.
Deposit date:2012-09-05
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.482 Å)
Cite:ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit.
Nat.Struct.Mol.Biol., 19, 2012
4GYI
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BU of 4gyi by Molmil
Crystal structure of the Rio2 kinase-ADP/Mg2+-phosphoaspartate complex from Chaetomium thermophilum
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N.
Deposit date:2012-09-05
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit.
Nat.Struct.Mol.Biol., 19, 2012
8JYH
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BU of 8jyh by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid C
Descriptor: 7-[5-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ...
Authors:Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T.
Deposit date:2023-07-03
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023

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