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5FXT
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BU of 5fxt by Molmil
Crystal Structure of Helicobacter pylori beta clamp in complex with Carprofen
分子名称: (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, DNA POLYMERASE III SUBUNIT BETA
著者Pandey, P, Gourinath, S.
登録日2016-03-02
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
5AEJ
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BU of 5aej by Molmil
Crystal structure of human Gremlin-1
分子名称: GREMLIN-1, SULFATE ION
著者Kisonaite, M, Hyvonen, M.
登録日2015-08-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structure of Gremlin-1 and Analysis of its Interaction with Bmp-2.
Biochem.J., 473, 2016
6IDP
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BU of 6idp by Molmil
Crystal structure of Vibrio cholerae MATE transporter VcmN in the straight form
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter
著者Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O.
登録日2018-09-11
公開日2019-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter.
Structure, 27, 2019
7CD1
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BU of 7cd1 by Molmil
Crystal structure of inhibitory Smad, Smad7
分子名称: CHLORIDE ION, Mothers against decapentaplegic homolog 7, SULFATE ION
著者Murayama, K, Kato-Murayama, M, Shirouzu, M.
登録日2020-06-18
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural basis for inhibitory effects of Smad7 on TGF-beta family signaling.
J.Struct.Biol., 212, 2020
5OD9
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BU of 5od9 by Molmil
Structure of the engineered metalloesterase MID1sc9
分子名称: (2~{S})-2-phenylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Studer, S, Mittl, P.R.E, Hilvert, D.
登録日2017-07-05
公開日2018-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
5A08
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BU of 5a08 by Molmil
X-ray structure of the mannosyltransferase Ktr4p from S. cerevisiae
分子名称: ACETATE ION, CALCIUM ION, PROBABLE MANNOSYLTRANSFERASE KTR4
著者Possner, D.D.D, Guy, J.E.
登録日2015-04-17
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of the Glycosyltransferase Ktr4P from Saccharomyces Cerevisiae
Plos One, 10, 2015
7CTY
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BU of 7cty by Molmil
Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP
分子名称: Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2020-08-20
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021
7C86
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BU of 7c86 by Molmil
Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: Dark state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RETINAL, ...
著者Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O.
登録日2020-05-28
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
登録日2019-05-07
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
7CB5
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BU of 7cb5 by Molmil
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
分子名称: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
6K1S
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BU of 6k1s by Molmil
Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors
分子名称: 1,2-ETHANEDIOL, 2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal, DIMETHYL SULFOXIDE, ...
著者Tong, S, Lin, H.
登録日2019-05-12
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SNO
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BU of 6sno by Molmil
Crystal structures of human PGM1 isoform 2
分子名称: 1-O-phosphono-alpha-D-glucopyranose, Phosphoglucomutase-1, ZINC ION
著者Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M.
登録日2019-08-27
公開日2020-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily.
Sci Rep, 10, 2020
7C88
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BU of 7c88 by Molmil
Complex structure of JS003 and PD-L1
分子名称: JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1
著者Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S.
登録日2020-05-29
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy.
Signal Transduct Target Ther, 5, 2020
5FCD
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BU of 5fcd by Molmil
Crystal structure of MccD protein
分子名称: CHLORIDE ION, MccD, UNK-UNK-UNK-MSE-UNK, ...
著者Nocek, B, Jedrzejczak, R, Anderson, W.F, Severinov, K, Dubiley, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-15
公開日2015-12-30
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of MccD protein.
To Be Published
7CB6
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BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
6SX6
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BU of 6sx6 by Molmil
Guanine-rich oligonucleotide with 5'-GC end form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pairs
分子名称: GCn
著者Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P.
登録日2019-09-25
公開日2020-07-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
7CFK
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BU of 7cfk by Molmil
Structure of the CBS domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with the novel inhibitor IGN95a
分子名称: (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hemolysin
著者Huang, Y, Jin, F, Hattori, M.
登録日2020-06-25
公開日2021-04-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification and mechanistic analysis of an inhibitor of the CorC Mg 2+ transporter.
Iscience, 24, 2021
5FLY
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BU of 5fly by Molmil
The FhuD protein from S.pseudintermedius
分子名称: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, CADMIUM ION, CHLORIDE ION, ...
著者Malito, E.
登録日2015-10-29
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Crystal Structure of Fhud at 1.6 Angstrom Resolution: A Ferrichrome-Binding Protein from the Animal and Human Pathogen Staphylococcus Pseudintermedius
Acta Crystallogr.,Sect.F, 72, 2016
5OHN
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BU of 5ohn by Molmil
Crystal structure of USP30 in covalent complex with ubiquitin propargylamide (low resolution)
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION
著者Gersch, M, Komander, D.
登録日2017-07-17
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Mechanism and regulation of the Lys6-selective deubiquitinase USP30.
Nat. Struct. Mol. Biol., 24, 2017
5OJN
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BU of 5ojn by Molmil
Sirtuin 4 from Xenopus tropicalis in complex with thioacetyl-ADP-ribose
分子名称: NAD-dependent protein deacylase, ZINC ION, thioacetyl-ADP-ribose
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5G48
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BU of 5g48 by Molmil
H.pylori Beta clamp in complex with Diflunisal
分子名称: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, DNA POLYMERASE III SUBUNIT BETA
著者Pandey, P, Gourinath, S.
登録日2016-05-06
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Targeting the beta-clamp in Helicobacter pylori with FDA-approved drugs reveals micromolar inhibition by diflunisal.
FEBS Lett., 591, 2017
7CTW
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BU of 7ctw by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP
分子名称: 1-(2-methylsulfanylphenyl)piperazine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2020-08-20
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021
6SBX
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BU of 6sbx by Molmil
CdbA Form Two
分子名称: CdbA
著者Lovering, A.L, Cadby, I.T.
登録日2019-07-22
公開日2020-04-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献CdbA is a DNA-binding protein and c-di-GMP receptor important for nucleoid organization and segregation in Myxococcus xanthus.
Nat Commun, 11, 2020
5GJV
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BU of 5gjv by Molmil
Structure of the mammalian voltage-gated calcium channel Cav1.1 complex at near atomic resolution
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, J.P, Yan, Z, Li, Z.Q, Zhou, Q, Yan, N.
登録日2016-07-02
公開日2016-09-14
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of the voltage-gated calcium channel Cav1.1 at 3.6 angstrom resolution
Nature, 537, 2016
6K1N
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BU of 6k1n by Molmil
PLP-bound form of a putative cystathionine gamma-lyase
分子名称: Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE
著者Chen, S, Wang, Y.
登録日2019-05-10
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021

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