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3WPQ
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crystal structure of the GAP domain of MgcRacGAP(S387A)
分子名称: Rac GTPase-activating protein 1
著者Murayama, K, Kato-Murayama, M, Shirouzu, M, Kitamura, T, Yokoyama, S.
登録日2014-01-15
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献crystal structure of the GAP domain of MgcRacGAP
To be Published
6YP6
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BU of 6yp6 by Molmil
Structural annotation of the conserved carbohydrate esterase vb_24B_21 from Shiga toxin-encoding bacteriophage phi24B
分子名称: GLYCEROL, NanS-p
著者Mayans, O, Franke, B.
登録日2020-04-15
公開日2020-09-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Structural annotation of the conserved carbohydrate esterase vb_24B_21 from Shiga toxin-encoding bacteriophage Phi 24 B .
J.Struct.Biol., 212, 2020
8GK0
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BU of 8gk0 by Molmil
Multi-drug efflux pump RE-CmeB bound with Erythromycin
分子名称: ERYTHROMYCIN A, Efflux pump membrane transporter
著者Zhang, Z.
登録日2023-03-16
公開日2023-06-07
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
6PFB
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BU of 6pfb by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid.
分子名称: 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.089 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
5MLJ
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Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-yl)amino)pyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Histone acetyltransferase KAT2A
著者Chung, C.-W.
登録日2016-12-06
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
6PFA
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BU of 6pfa by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)methyl)benzoic acid.
分子名称: 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFI
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BU of 6pfi by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid.
分子名称: 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
7BVX
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BU of 7bvx by Molmil
Crystal structure of C-terminal fragment of pilus adhesin SpaC from Lactobacillus rhamnosus GG-Iodide soaked
分子名称: IODIDE ION, Pilus assembly protein
著者Kant, A, Palva, A, von Ossowski, I, Krishnan, V.
登録日2020-04-12
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili.
J.Struct.Biol., 211, 2020
8GK3
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BU of 8gk3 by Molmil
Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate
分子名称: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, J, Scott, E.E.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate.
J.Biol.Chem., 299, 2023
6YK2
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BU of 6yk2 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin- 2,4(1H,3H)-dione at resolution 1.60A
分子名称: (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2020-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.612 Å)
主引用文献Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
6YK5
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Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]- pyrimidine-2,4(1H,3H)-dione at resolution 1.15A
分子名称: (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2020-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
6PFE
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BU of 6pfe by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid.
分子名称: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.812 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
2ZY5
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BU of 2zy5 by Molmil
R487A mutant of L-aspartate beta-decarboxylase
分子名称: L-aspartate beta-decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Chen, H.-J, Ko, T.-P, Lee, C.-Y, Wang, N.-C, Wang, A.H.-J.
登録日2009-01-13
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure, Assembly, and Mechanism of a PLP-Dependent Dodecameric l-Aspartate beta-Decarboxylase
Structure, 17, 2009
8GEX
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BU of 8gex by Molmil
Crystal structure of the ferric enterobactin transporter (XusB) from Bacteroides thetaiotaomicron
分子名称: DUF4374 domain-containing protein
著者Perera, Y.R, Chazin, W.J.
登録日2023-03-07
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Iron acquisition by a commensal bacterium modifies host nutritional immunity during Salmonella infection.
Biorxiv, 2023
6V3H
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BU of 6v3h by Molmil
Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1) in complex with an ezetimibe analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid, ...
著者Huang, C.S, Yu, X, Min, X, Wang, Z.
登録日2019-11-25
公開日2020-07-01
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition
Sci Adv, 6, 2020
6PI7
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BU of 6pi7 by Molmil
Crystal structure of the TDRD2 extended Tudor domain in complex with an antibody fragment and the PIWIL1 peptide
分子名称: Fab antigen-binding fragment, Piwi-like protein 1, Tudor and KH domain-containing protein, ...
著者Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
登録日2019-06-26
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lesson from a Fab-enabled co-crystallization study of TDRD2 and PIWIL1.
Methods, 175, 2020
6YK6
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BU of 6yk6 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione at resolution 1.47A
分子名称: (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2020-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
5MWE
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BU of 5mwe by Molmil
Complex between the Leucine Zipper (LZ, residues 490-567) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn)
分子名称: 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, Centrosomin, ...
著者Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
登録日2017-01-18
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
7WQZ
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BU of 7wqz by Molmil
Structure of Active-mutEP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7BWT
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BU of 7bwt by Molmil
SopD-Rab8 complex structure
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jiang, K, Tong, M, Chen, Z, Gao, X.
登録日2020-04-16
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Salmonella effector protein SopD targets Rab8 to positively and negatively modulate the inflammatory response.
Nat Microbiol, 6, 2021
7WQW
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BU of 7wqw by Molmil
Structure of Active-EP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WR7
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BU of 7wr7 by Molmil
Structure of Inhibited-EP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ...
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQX
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BU of 7wqx by Molmil
Structure of Inactive-EP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
6VGW
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BU of 6vgw by Molmil
Crystal structure of VidaL intein (selenomethionine variant)
分子名称: GLYCEROL, SULFATE ION, VidaL
著者Burton, A.J, Haugbro, M, Parisi, E, Muir, T.W.
登録日2020-01-09
公開日2020-05-27
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Live-cell protein engineering with an ultra-short split intein.
Proc.Natl.Acad.Sci.USA, 117, 2020
5MW9
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BU of 5mw9 by Molmil
Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn) - L535E mutant form
分子名称: Centrosomin, ZINC ION
著者Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
登録日2017-01-18
公開日2017-06-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017

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