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8QEF
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A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand.
分子名称: 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid
著者Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L.
登録日2023-08-31
公開日2023-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
7QWK
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GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2
分子名称: (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2
著者Maia de Oliveira, T.
登録日2022-01-25
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
8SPV
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BU of 8spv by Molmil
PS3 F1 Rotorless, no ATP
分子名称: ATP synthase subunit alpha, ATP synthase subunit beta
著者Sobti, M, Stewart, A.G.
登録日2023-05-03
公開日2024-01-24
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献The series of conformational states adopted by rotorless F 1 -ATPase during its hydrolysis cycle.
Structure, 32, 2024
7QRV
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BU of 7qrv by Molmil
Crystal structure of NHL domain of TRIM2 (full C-terminal)
分子名称: 1,2-ETHANEDIOL, Tripartite motif-containing protein 2
著者Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
7RYV
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BU of 7ryv by Molmil
Anti-HIV neutralizing antibody Ab1573 Fab isolated from sequentially immunized macaques
分子名称: Ab1573 Fab heavy chain, Ab1573 Fab light chain
著者Yang, Z, Bjorkman, P.J.
登録日2021-08-26
公開日2022-01-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Neutralizing antibodies induced in immunized macaques recognize the CD4-binding site on an occluded-open HIV-1 envelope trimer.
Nat Commun, 13, 2022
8P1E
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BU of 8p1e by Molmil
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613.
分子名称: 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
著者Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
登録日2023-05-11
公開日2024-05-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
5NR2
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BU of 5nr2 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with azotochelin
分子名称: 1,2-ETHANEDIOL, Azotochelin, FE (III) ION, ...
著者Moynie, L, Naismith, J.H.
登録日2017-04-21
公開日2018-05-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
8HJY
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Crystal structure of a cupin protein (tm1459, H52A/H58E/F104W mutant) in copper (Cu) substituted form
分子名称: COPPER (II) ION, Cupin_2 domain-containing protein
著者Matsumoto, R, Kurisu, G, Fujieda, N.
登録日2022-11-24
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献An artificial metallolyase with pliable 2-His-1-carboxylate facial triad for stereoselective Michael addition.
Chem Sci, 14, 2023
8VJ6
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BU of 8vj6 by Molmil
GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 1
分子名称: 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, Isoform Flip of Glutamate receptor 2
著者Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C.
登録日2024-01-05
公開日2024-06-05
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 31, 2024
8HJZ
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BU of 8hjz by Molmil
Crystal structure of a cupin protein (tm1459, H52A/H58Q mutant) in copper (Cu) substituted form
分子名称: COPPER (II) ION, Cupin_2 domain-containing protein
著者Matsumoto, R, Kurisu, G, Fujieda, N.
登録日2022-11-24
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献An artificial metallolyase with pliable 2-His-1-carboxylate facial triad for stereoselective Michael addition.
Chem Sci, 14, 2023
8HJX
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BU of 8hjx by Molmil
Crystal structure of a cupin protein (tm1459, H52A/H58E mutant) in copper (Cu) substituted form
分子名称: COPPER (II) ION, Cupin_2 domain-containing protein
著者Matsumoto, R, Kurisu, G, Fujieda, N.
登録日2022-11-24
公開日2023-06-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献An artificial metallolyase with pliable 2-His-1-carboxylate facial triad for stereoselective Michael addition.
Chem Sci, 14, 2023
7BR1
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BU of 7br1 by Molmil
Hydroxynitrile lyase from Parafontaria laminate complexed with benzaldehyde prepared by cocrystallization
分子名称: 1,2-ETHANEDIOL, Hydroxynitrile lyase, THIOCYANATE ION, ...
著者Nuylert, A, Nakabayashi, M, Yamaguchi, T, Asano, Y.
登録日2020-03-26
公開日2021-04-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Hydroxynitrile lyase from Parafonteria laminate complexed with benzaldehyde prepared by cocrystallization
To Be Published
7SKL
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BU of 7skl by Molmil
Complex between S. aureus aureolysin and IMPI mutant I57I
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ...
著者Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-01-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
7SKM
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BU of 7skm by Molmil
Complex between S. aureus aureolysin and wt IMPI.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-01-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
6I21
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BU of 6i21 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
分子名称: 1,2-ETHANEDIOL, Aureochrome1-like protein, CHLORIDE ION, ...
著者Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A.
登録日2018-10-31
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
8OVQ
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BU of 8ovq by Molmil
Crystal structure of Geodia cydonium sponge adhesion molecule long form (SAML).
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell recognition molecule, ...
著者Lopez-Sagaseta, J, Urdiciain, A.
登録日2023-04-26
公開日2024-06-26
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Unusual traits shape the architecture of the Ig ancestor molecule.
Commun Biol, 8, 2025
7T1P
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BU of 7t1p by Molmil
Solution structure of 7SK stem-loop 1 with HIV-1 Tat Finland Arginine Rich Motif
分子名称: RNA (56-MER), Tat Finland Arginine Rich Motif
著者Pham, V.V, Gao, M, D'Souza, V.M.
登録日2021-12-02
公開日2022-09-14
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA.
Commun Biol, 5, 2022
8V7Z
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BU of 8v7z by Molmil
Phosphorylated, ATP-bound, E1371Q human cystic fibrosis transmembrane conductance regulator (E1371Q-CFTR)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Gao, X, Hwang, T.
登録日2023-12-04
公開日2024-07-17
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore.
Nat Commun, 15, 2024
7QPA
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BU of 7qpa by Molmil
Outward-facing auxin bound form of auxin transporter PIN8
分子名称: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 8
著者Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P.
登録日2022-01-03
公開日2022-07-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
7QP9
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BU of 7qp9 by Molmil
Outward-facing apo-form of auxin transporter PIN8
分子名称: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Auxin efflux carrier component 8
著者Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P.
登録日2022-01-03
公開日2022-07-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
8EM1
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BU of 8em1 by Molmil
Type IIS Restriction Endonuclease PaqCI, DNA Unbound
分子名称: 1,2-ETHANEDIOL, PaqCI, DNA Unbound
著者Kennedy, M.A, Stoddard, B.L.
登録日2022-09-26
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.
Nucleic Acids Res., 51, 2023
7TGF
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BU of 7tgf by Molmil
Single-domain VHH intrabodies neutralize ricin toxin.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin chain A, ...
著者Rudolph, M.J, Mantis, N.
登録日2022-01-07
公開日2022-10-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.347 Å)
主引用文献Single-domain antibodies neutralize ricin toxin intracellularly by blocking access to ribosomal P-stalk proteins.
J.Biol.Chem., 298, 2022
8Y58
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BU of 8y58 by Molmil
Crystal structure of TRIM21 PRYSPRY (D355A) in complex with acepromazine.
分子名称: 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE, E3 ubiquitin-protein ligase TRIM21, FORMIC ACID
著者Lu, P, Cheng, Y, Xue, L, Ren, X, Huang, N, Han, T.
登録日2024-01-31
公開日2024-10-09
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective degradation of multimeric proteins by TRIM21-based molecular glue and PROTAC degraders.
Cell, 187, 2024
7SQL
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BU of 7sql by Molmil
Crystal structure of human uridine-cytidine kinase 2 complexed with a weak small molecule inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide, ...
著者Mashayekh, S, Stunkard, L.M, Kienle, M, Mathews, I.I, Khosla, C.
登録日2021-11-05
公開日2022-10-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Prototyping of Allosteric Inhibitors of Human Uridine/Cytidine Kinase 2 (UCK2).
Biochemistry, 61, 2022
7TB1
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BU of 7tb1 by Molmil
Crystal structure of STUB1 with a macrocyclic peptide
分子名称: 1,3-bis(sulfanyl)propan-2-one, ALA-CYS-SER-SER-ILE-TRP-CYS-PRO-ASP-GLY, E3 ubiquitin-protein ligase CHIP
著者Bahmanjah, S, Klein, D.J.
登録日2021-12-21
公開日2022-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1.
J.Med.Chem., 2022

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