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6JVH
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BU of 6jvh by Molmil
Crystal structure of human MTH1 in complex with compound MI0320
Descriptor: 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Peng, C, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
5SCV
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BU of 5scv by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-889
Descriptor: 6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-889
to be published
6JVO
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BU of 6jvo by Molmil
Crystal structure of human MTH1 in complex with compound MI1022
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
5SD5
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BU of 5sd5 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1230
Descriptor: 1,2-ETHANEDIOL, 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1230
to be published
6KEK
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BU of 6kek by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
Descriptor: 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6KER
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BU of 6ker by Molmil
Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form
Descriptor: GLUTATHIONE, Glutathione S-transferase E14
Authors:Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KF7
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BU of 6kf7 by Molmil
Microbial Hormone-sensitive lipase E53 mutant S285G
Descriptor: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L.
Deposit date:2019-07-06
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Microbial Hormone-sensitive lipase E53 mutant S285G
To Be Published
6KFS
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BU of 6kfs by Molmil
Structure of CCM related protein
Descriptor: LCIB_C_CA domain-containing protein, ZINC ION
Authors:Jin, S, Gao, Y.G.
Deposit date:2019-07-08
Release date:2020-07-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural and biochemical characterization of novel carbonic anhydrases from Phaeodactylum tricornutum.
Acta Crystallogr D Struct Biol, 76, 2020
5SDA
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BU of 5sda by Molmil
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-774
Descriptor: (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-774
to be published
5SD7
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BU of 5sd7 by Molmil
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735
Descriptor: (2S)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735
to be published
6JVY
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BU of 6jvy by Molmil
Crystal structure of RBM38 in complex with single-stranded DNA
Descriptor: DNA (5'-D(*TP*GP*TP*GP*TP*GP*TP*GP*TP*GP*TP*G)-3'), RNA-binding protein 38, SULFATE ION
Authors:Qian, K, Li, M, Wang, J, Zhang, M, Wang, M.
Deposit date:2019-04-17
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural basis for mRNA recognition by human RBM38.
Biochem.J., 477, 2020
6JW6
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BU of 6jw6 by Molmil
The crystal structure of KanD2 in complex with NAD
Descriptor: Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kudo, F, Kitayama, Y, Miyanaga, A, Hirayama, A, Eguchi, T.
Deposit date:2019-04-18
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biochemical and structural analysis of a dehydrogenase, KanD2, and an aminotransferase, KanS2, that are responsible for the construction of the kanosamine moiety in kanamycin biosynthesis.
Biochemistry, 59, 2020
5SD1
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BU of 5sd1 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer)
Descriptor: (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer)
to be published
6JWM
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BU of 6jwm by Molmil
Crystal structure of the SPRY domain of SPSB2 in complex with cR7, a potent cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
Authors:Li, K, Kuang, Z.
Deposit date:2019-04-21
Release date:2020-04-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structure of SPSB2 in complex with cR7, a potent cyclic peptide inhibitor of SPSB2-iNOS interaction
To Be Published
5SCX
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BU of 5scx by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
Descriptor: (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
to be published
6KFV
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BU of 6kfv by Molmil
GroEL from Xanthomonas oryzae pv. oryzae
Descriptor: 60 kDa chaperonin, GLYCEROL, SULFATE ION
Authors:Tran, H.T, Lee, J.H, Kang, L.W.
Deposit date:2019-07-08
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Crystal Structure of Chaperonin GroEL from Xanthomonas oryzae pv. oryzae
Crystals, 9, 2019
5SD9
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BU of 5sd9 by Molmil
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1096
Descriptor: (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1096
to be published
5SCO
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BU of 5sco by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
Descriptor: 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide, BROMIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
to be published
6KI2
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BU of 6ki2 by Molmil
The STAS domain of cyanobacteria bicarbonate transporter BicA
Descriptor: Low affinity sulfate transporter, SULFATE ION
Authors:Zhang, P, Wang, C.C.
Deposit date:2019-07-17
Release date:2019-11-20
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
6KI8
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BU of 6ki8 by Molmil
Pyrophosphatase mutant K149R from Acinetobacter baumannii
Descriptor: DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION
Authors:Su, J.
Deposit date:2019-07-17
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
5SCM
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BU of 5scm by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-22
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-22
to be published
6KIJ
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BU of 6kij by Molmil
Crystal structure of yedK with ssDNA containing an abasic site
Descriptor: DNA (5'-D(*GP*AP*TP*TP*CP*GP*TP*CP*G)-3'), GLYCEROL, PENTANE-3,4-DIOL-5-PHOSPHATE, ...
Authors:Wang, N, Bao, H, Huang, H.
Deposit date:2019-07-18
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Molecular basis of abasic site sensing in single-stranded DNA by the SRAP domain of E. coli yedK.
Nucleic Acids Res., 47, 2019
5SDB
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BU of 5sdb by Molmil
Crystal Structure of Human DHFR complexed with NADP and N10-formyl-tetrahydrofolate
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase, N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Human DHFR complexed with NADP and N10-formyl-tetrahydrofolate
to be published
6JXJ
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BU of 6jxj by Molmil
Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
5SCP
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BU of 5scp by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
to be published

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數據於2024-10-16公開中

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