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6UWI
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BU of 6uwi by Molmil
Crystal structure of the Clostridium difficile translocase CDTb
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Pozharski, E.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
8PMP
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BU of 8pmp by Molmil
Structure of the human nuclear cap-binding complex bound to ARS2[147-871] and m7GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ...
著者Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J.
登録日2023-06-29
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex.
Cell Rep, 43, 2024
6OWR
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BU of 6owr by Molmil
NMR solution structure of YfiD
分子名称: Autonomous glycyl radical cofactor
著者Bowman, S.E.J, Drennan, C.L.
登録日2019-05-10
公開日2019-07-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure and biochemical characterization of a spare part protein that restores activity to an oxygen-damaged glycyl radical enzyme.
J.Biol.Inorg.Chem., 24, 2019
6OZ3
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BU of 6oz3 by Molmil
Crystal structure of broadly neutralizing antibody N49P9.1 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P9.1 antibody Fab heavy chain, N49P9.1 antibody Fab light chain, ...
著者Tolbert, W.D, Pazgier, M.
登録日2019-05-15
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Crystal structure of broadly neutralizing antibody N49P9.1 Fab in complex with HIV-1 Clade A/E strain 93TH)57 gp120 core
To Be Published
6YAM
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BU of 6yam by Molmil
Mammalian 48S late-stage translation initiation complex (LS48S+eIF3 IC) with beta-globin mRNA
分子名称: 18S ribosomal RNA, 40S ribosomal protein eS1, 40S ribosomal protein eS10, ...
著者Bochler, A, Simonetti, A, Guca, E, Hashem, Y.
登録日2020-03-12
公開日2020-04-08
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Insights into the Mammalian Late-Stage Initiation Complexes.
Cell Rep, 31, 2020
6M4I
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BU of 6m4i by Molmil
Structure of CENP-E motor domain at 1.9 angstrom resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Centromere-associated protein E, MAGNESIUM ION
著者Shibuya, A, Yokoyama, H.
登録日2020-03-07
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and comparison of the motor domain ofcentromere-associated protein E
Acta Crystallogr.,Sect.D, 77, 2021
8TQD
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BU of 8tqd by Molmil
NF-Kappa-B1 Bound with a Covalent Inhibitor
分子名称: 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit
著者Hilbert, B.J.
登録日2023-08-07
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
1C3E
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BU of 1c3e by Molmil
NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.
分子名称: 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
著者Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A.
登録日1999-07-27
公開日1999-12-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
6XAV
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BU of 6xav by Molmil
CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex bound with NusG
分子名称: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Hao, Z.T, Kim, H.K, Walz, T, Nudler, E.
登録日2020-06-04
公開日2020-12-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Pre-termination Transcription Complex: Structure and Function.
Mol.Cell, 81, 2021
1C2T
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BU of 1c2t by Molmil
NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.
分子名称: 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
著者Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A.
登録日1999-07-26
公開日2000-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
8R02
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BU of 8r02 by Molmil
Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a
分子名称: Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35
著者Milani, M, Fagnani, E.
登録日2023-10-30
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
8R0J
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BU of 8r0j by Molmil
Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, ...
著者Milani, M, Fagnani, E.
登録日2023-10-31
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
7NTJ
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BU of 7ntj by Molmil
PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex
分子名称: Envelope small membrane protein, MAGUK p55 subfamily member 5
著者Javorsky, A, Kvansakul, M.
登録日2021-03-10
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
7O2V
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BU of 7o2v by Molmil
AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8
分子名称: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A
著者Garau, G.
登録日2021-03-31
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
Eur.J.Med.Chem., 226, 2021
4Y4M
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BU of 4y4m by Molmil
Thiazole synthase Thi4 from Methanocaldococcus jannaschii
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Putative ribose 1,5-bisphosphate isomerase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate
著者Zhang, X, Ealick, S.E.
登録日2015-02-10
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
8QFY
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BU of 8qfy by Molmil
Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide
分子名称: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Pengelly, R.J, Robinson, R.A.
登録日2023-09-05
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献An HLA-E-targeted TCR bispecific molecule redirects T cell immunity against Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 121, 2024
6Q9C
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BU of 6q9c by Molmil
Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-17
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6Q9G
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BU of 6q9g by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6Q9J
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BU of 6q9j by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6X4Y
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BU of 6x4y by Molmil
Mfd-bound E.coli RNA polymerase elongation complex - IV state
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A.
登録日2020-05-24
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for transcription complex disruption by the Mfd translocase.
Elife, 10, 2021
8A9Z
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BU of 8a9z by Molmil
Tubulin-[1,2]oxazoloisoindole-2e complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ...
著者Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V.
登録日2022-06-29
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas.
Eur.J.Med.Chem., 243, 2022
5HL4
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BU of 5hl4 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
登録日2016-01-14
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
6X4W
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BU of 6x4w by Molmil
Mfd-bound E.coli RNA polymerase elongation complex - III state
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A.
登録日2020-05-24
公開日2021-02-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for transcription complex disruption by the Mfd translocase.
Elife, 10, 2021
5HQD
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BU of 5hqd by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
登録日2016-01-21
公開日2016-02-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016

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