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6KJQ
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BU of 6kjq by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
7ROY
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BU of 7roy by Molmil
The structure of the Fem1B:FNIP1 complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Folliculin-interacting protein 1, Protein fem-1 homolog B, ...
著者Gee, C.L, Mena, E.L, Manford, A.G, Rape, M.
登録日2021-08-02
公開日2021-10-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis and regulation of the reductive stress response.
Cell, 184, 2021
6OUI
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BU of 6oui by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-710A
分子名称: 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB11-710A
To Be Published
6KDJ
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BU of 6kdj by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex
分子名称: DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2019-07-02
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
7JXV
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BU of 7jxv by Molmil
ANTH domain of CALM (clathrin-assembly lymphoid myeloid leukemia protein) bound to ubiquitin
分子名称: Phosphatidylinositol-binding clathrin assembly protein, Ubiquitin
著者Pashkova, N, Gakhar, L, Schnicker, N.J, Piper, R.C.
登録日2020-08-28
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献ANTH domains within CALM, HIP1R, and Sla2 recognize ubiquitin internalization signals.
Elife, 10, 2021
7JLJ
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BU of 7jlj by Molmil
Crystal structure of Bacillus subtilis UppS in complex with clomiphene
分子名称: Clomifene, Isoprenyl transferase
著者Workman, S.D, Strynadka, N.C.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
6ZHS
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BU of 6zhs by Molmil
Uba1 bound to two E2 (Ubc13) molecules
分子名称: GLYCEROL, SULFATE ION, Ubiquitin-activating enzyme E1 1, ...
著者Misra, M, Schindelin, H.
登録日2020-06-23
公開日2022-01-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system.
To Be Published
8BJ9
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BU of 8bj9 by Molmil
X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - 5LICAM complex.
分子名称: ABC transporter, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), ...
著者Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S.
登録日2022-11-03
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BNW
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BU of 8bnw by Molmil
X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - apo form
分子名称: ABC transporter, NICKEL (II) ION, SULFATE ION
著者Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S.
登録日2022-11-14
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.133 Å)
主引用文献Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
6KEM
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BU of 6kem by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form 2
分子名称: Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
6GUV
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BU of 6guv by Molmil
BTB domain of mouse PATZ1
分子名称: POZ (BTB) and AT hook-containing zinc finger 1
著者Alt, A, Piepoli, S, Erman, B, Mancini, E.J.
登録日2018-06-19
公開日2019-10-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural analysis of the PATZ1 BTB domain homodimer
Acta Crystallogr.,Sect.D, 2020
6ZHT
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BU of 6zht by Molmil
Uba1-Ubc13 disulfide mediated complex
分子名称: CHLORIDE ION, GLYCEROL, Ubiquitin-activating enzyme E1 1, ...
著者Schaefer, A, Misra, M, Schindelin, H.
登録日2020-06-23
公開日2022-01-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system.
To Be Published
5GGF
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BU of 5ggf by Molmil
Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase form II
分子名称: Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-15
公開日2016-08-10
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
5TBD
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BU of 5tbd by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222
分子名称: Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2
著者Seow, J, Morales, R.A.V, MacRaild, C.A, Bankala, K, Drinkwater, N, Dingjan, T, Jaipuria, G, Wilde, K, Anders, R.F, Atreya, H.S, Christ, D, McGowan, S, Norton, R.S.
登録日2016-09-12
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2.
J. Mol. Biol., 429, 2017
6ZIF
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BU of 6zif by Molmil
The structure of a cytosolic copper storage protein from Methylocystis sp. Strain Rockwell (ATCC 49242)
分子名称: COPPER (I) ION, RkCSP3, ZINC ION
著者Basle, A, Lee, J, Dennison, C.
登録日2020-06-25
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The importance of sites at the entrance of a copper storage protein for Cu(I) binding and removal
To Be Published
8BAQ
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BU of 8baq by Molmil
E. coli C7 DarT1 in complex with NAD+
分子名称: 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAU
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BU of 8bau by Molmil
Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
6BQE
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BU of 6bqe by Molmil
Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.
分子名称: ACETATE ION, Arogenate dehydratase
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2017-11-27
公開日2017-12-13
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5TBP
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BU of 5tbp by Molmil
Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X.
登録日2016-09-12
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
6ZHU
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BU of 6zhu by Molmil
Yeast Uba1 in complex with Ubc3 and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ubiquitin-activating enzyme E1 1, ...
著者Misra, M, Schindelin, H.
登録日2020-06-23
公開日2022-01-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system
To Be Published
7JUL
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BU of 7jul by Molmil
Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG)
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-20
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
8QFZ
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BU of 8qfz by Molmil
TSLP-Bicycle complex
分子名称: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin
著者Petersen, J.
登録日2023-09-05
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
J.Med.Chem., 67, 2024
7KBA
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BU of 7kba by Molmil
Crystal structure of the HCMV pentamer-specific Fab 2-18
分子名称: 2-18 Fab Heavy Chain, 2-18 Fab Light Chain
著者Wrapp, D, McLellan, J.S.
登録日2020-10-01
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies.
Sci Adv, 8, 2022
7R75
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BU of 7r75 by Molmil
Structure of human SHP2 in complex with compound 16
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Cross, J.
登録日2021-06-24
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
6KGU
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BU of 6kgu by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with aztreonam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020

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件を2024-08-28に公開中

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