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8Q68
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Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143
分子名称: Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide
著者Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L.
登録日2023-08-11
公開日2023-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
7UCR
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BU of 7ucr by Molmil
Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA
分子名称: SULFATE ION, Sarcin-Ricin loop RNA
著者Harp, J.M, Egli, M.E, Pallan, P.S, Coates, L.
登録日2022-03-17
公開日2022-07-20
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION
主引用文献Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure.
Nucleic Acids Res., 50, 2022
8OTL
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BU of 8otl by Molmil
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
分子名称: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ...
著者Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L.
登録日2023-04-21
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023
2BLS
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BU of 2bls by Molmil
AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI
分子名称: AMPC BETA-LACTAMASE
著者Usher, K.C, Wery, J.-P, Blaszczak, L.C, Remington, S.J.
登録日1998-06-03
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design.
Biochemistry, 37, 1998
6A1T
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BU of 6a1t by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33A with lactose
分子名称: Galectin-10, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
5X2U
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BU of 5x2u by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 80 mM phosphate pH 6.7.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ohki, M, Park, S.-Y.
登録日2017-02-02
公開日2017-09-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
7FCW
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BU of 7fcw by Molmil
X-ray structure of H2O-solvent lysozyme
分子名称: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
著者Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
登録日2021-07-15
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
4UKD
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BU of 4ukd by Molmil
UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, UDP, BERYLLIUM FLUORIDE
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM DIFLUORIDE, MAGNESIUM ION, ...
著者Schlichting, I, Reinstein, J.
登録日1997-05-20
公開日1998-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative.
Biochemistry, 36, 1997
7FCU
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BU of 7fcu by Molmil
X-ray structure of D2O-solvent lysozyme
分子名称: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
著者Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
登録日2021-07-15
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
5X2R
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BU of 5x2r by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 10 mM phosphate pH 6.9.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ohki, M, Park, S.-Y.
登録日2017-02-02
公開日2017-09-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
6A1U
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BU of 6a1u by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33D
分子名称: Galectin-10
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
5X2T
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BU of 5x2t by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 7.2.
分子名称: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Ohki, M, Park, S.-Y.
登録日2017-02-02
公開日2017-09-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
6A1Y
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BU of 6a1y by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant Y35A
分子名称: Galectin-10
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
6A1V
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BU of 6a1v by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33Q
分子名称: Galectin-10
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
5X2S
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BU of 5x2s by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 6.5.
分子名称: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Ohki, M, Park, S.-Y.
登録日2017-02-02
公開日2017-09-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
6A1S
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BU of 6a1s by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33A
分子名称: Galectin-10
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
6A1X
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BU of 6a1x by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant W127A
分子名称: Galectin-10
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
5XDX
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BU of 5xdx by Molmil
Bovine heart cytochrome c oxidase in the reduced state with pH 7.3 at 1.99 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
登録日2017-03-30
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of bovine cytochrome c oxidase in the ligand-free reduced state at neutral pH.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6H7W
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BU of 6h7w by Molmil
Model of retromer-Vps5 complex assembled on membrane.
分子名称: Putative vacuolar protein sorting-associated protein, Vacuolar protein sorting-associated protein 26-like protein, Vacuolar protein sorting-associated protein 29, ...
著者Kovtun, O, Leneva, N, Ariotti, N, Rohan, T.S, Owen, D.J, Briggs, J.A.G, Collins, B.M.
登録日2018-07-31
公開日2018-09-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (11.4 Å)
主引用文献Structure of the membrane-assembled retromer coat determined by cryo-electron tomography.
Nature, 561, 2018
8VDJ
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BU of 8vdj by Molmil
Crystal structure of SARS-CoV-2 3CL protease (3CLpro) as a covalent complex with EDP-235
分子名称: 3C-like proteinase nsp5, 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide, THIOCYANATE ION
著者Cade, I.A, Rhodin, M.H.J.
登録日2023-12-15
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The small molecule inhibitor of SARS-CoV-2 3CLpro EDP-235 prevents viral replication and transmission in vivo.
Nat Commun, 15, 2024
9FJN
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BU of 9fjn by Molmil
Solution NMR structure of a peptide encompassing residues 2-19 of the human formin INF2
分子名称: Inverted formin-2
著者Jimenez, M.A, Comas, L, Labat-de-Hoz, L, Correas, I, Alonso, M.A.
登録日2024-05-31
公開日2024-09-11
実験手法SOLUTION NMR
主引用文献Structure and function of the N-terminal extension of the formin INF2.
Cell Mol Life Sci, 79, 2022
9B3D
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BU of 9b3d by Molmil
mDia1 in the middle of F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Palmer, N.J, Barrie, K.R, Dominguez, R.
登録日2024-03-19
公開日2024-05-29
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Mechanisms of actin filament severing and elongation by formins.
Nature, 632, 2024
6PPO
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BU of 6ppo by Molmil
Rhinovirus C15 complexed with domain I of receptor CDHR3
分子名称: CALCIUM ION, Cadherin-related family member 3, Capsid protein VP1, ...
著者Sun, Y, Watters, K, Klose, T, Palmenberg, A.C.
登録日2019-07-08
公開日2020-03-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of rhinovirus C15a bound to its cadherin-related protein 3 receptor.
Proc.Natl.Acad.Sci.USA, 117, 2020
9FJW
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Solution NMR structure of a peptide encompassing residues 2-36 of the human formin INF2
分子名称: Inverted formin-2
著者Jimenez, M.A, Comas, L, Labat-de-Hoz, L, Correas, I, Alonso, M.A.
登録日2024-05-31
公開日2024-09-11
実験手法SOLUTION NMR
主引用文献Structure and function of the N-terminal extension of the formin INF2.
Cell Mol Life Sci, 79, 2022
9BKK
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BU of 9bkk by Molmil
Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex
分子名称: Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J.
登録日2024-04-29
公開日2024-05-22
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling.
Plos Biol., 22, 2024

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