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7PEH
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Crystal Structure of a Class D Carbapenemase
分子名称: 1-BUTANOL, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
8QLV
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Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 4
分子名称: Oligopeptide-binding protein AliB, VAL-MET-VAL-LYS-GLY-PRO-GLY-PRO-GLY-ARG
著者Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
登録日2023-09-20
公開日2024-05-22
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
6EZL
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Crystal structure of aspartate aminotransferase from Trypanosoma cruzi at 2.07 Angstrom resolution
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Jagoe, W.N, Khan, A.R.
登録日2017-11-15
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure of aspartate aminotransferase from Trypanosoma Cruzi at 2.07 Angstrom resolution
To Be Published
5UDV
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LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with iron
分子名称: FE (III) ION, Lactate racemization operon protein LarE, PHOSPHATE ION, ...
著者Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
登録日2016-12-28
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7KK5
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BU of 7kk5 by Molmil
Structure of the catalytic domain of PARP1 in complex with niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
8QZ4
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Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76)
分子名称: BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
6F08
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14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1)
分子名称: 14-3-3 protein zeta/delta, PENTAETHYLENE GLYCOL, Son of sevenless homolog 1
著者Ballone, A, Centorrino, F, Ottmann, C, Guo, S, Leysen, S.
登録日2017-11-17
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization of 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1).
J. Struct. Biol., 202, 2018
6AXR
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Structure of the P122A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a Structural Element in HIV-1 Gag Required for Virus Particle Assembly and Maturation.
MBio, 9, 2018
5U5L
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BU of 5u5l by Molmil
X-ray Crystal Structure of the PPARgamma Ligand Binding Domain in Complex with Rivoglitazone
分子名称: (5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Bruning, J.B, Rajapaksha, H, Wegener, K, Bhatia, H.
登録日2016-12-06
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献X-ray crystal structure of rivoglitazone bound to PPAR gamma and PPAR subtype selectivity of TZDs.
Biochim. Biophys. Acta, 1861, 2017
7KMI
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LY-CoV481 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
6J32
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BU of 6j32 by Molmil
Crystal Structure Analysis of the Glycotransferase of kitacinnamycin
分子名称: Kcn28
著者Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M.
登録日2019-01-03
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Genome mining and biosynthesis of kitacinnamycins as a STING activator.
Chem Sci, 10, 2019
7ZT0
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BU of 7zt0 by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-05-09
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
6F0Q
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Crystal structure of Pizza6-AYW
分子名称: Pizza6-AYW
著者Noguchi, H, De Zitter, E, Van Meervelt, L, Voet, A.R.D.
登録日2017-11-20
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design of tryptophan-containing mutants of the symmetrical Pizza protein for biophysical studies.
Biochem. Biophys. Res. Commun., 497, 2018
6Y31
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BU of 6y31 by Molmil
NG domain of human SRP54 T117 deletion mutant
分子名称: Signal recognition particle 54 kDa protein
著者Juaire, K.D, Lapouge, K, Becker, M.M.M, Kotova, I, Haas, M, Carapito, R, Wild, K, Bahram, S, Sinning, I.
登録日2020-02-17
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.001 Å)
主引用文献Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia.
Structure, 29, 2021
6AXV
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BU of 6axv by Molmil
Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Identification of a novel element in HIV-1 capsid critical for assembly and maturation
To be published
8QOK
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BU of 8qok by Molmil
Capra hircus reactive intermediate deaminase A mutant - E124A
分子名称: 2-iminobutanoate/2-iminopropanoate deaminase
著者Rizzi, G, Visentin, C, Ricagno, S.
登録日2023-09-29
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Capra hircus reactive intermediate deaminase A mutant - E124A
To Be Published
5U5W
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BU of 5u5w by Molmil
CcP gateless cavity
分子名称: 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
著者Fischer, M, Shoichet, B.K.
登録日2016-12-07
公開日2017-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7KIV
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BU of 7kiv by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
8QOP
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Capra hircus reactive intermediate deaminase A - K78A
分子名称: 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, SODIUM ION
著者Rizzi, G, Visentin, C, Ricagno, S.
登録日2023-09-29
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Capra hircus reactive intermediate deaminase A - K78A
To Be Published
8A2V
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Room temperature structure of the ground state of AtPhot2LOV2 in space group P43212
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Engilberge, S, Caramello, N, Royant, A.
登録日2022-06-06
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature.
Iucrj, 9, 2022
8QOQ
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Capra hircus reactive intermediate deaminase A mutant - R107A
分子名称: 2-iminobutanoate/2-iminopropanoate deaminase
著者Rizzi, G, Visentin, C, Ricagno, S.
登録日2023-09-29
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.214 Å)
主引用文献Capra hircus reactive intermediate deaminase A mutant - R107A
To Be Published
6B1U
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BU of 6b1u by Molmil
Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
登録日2017-09-19
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
5F91
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Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide)
分子名称: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
著者Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
登録日2015-12-09
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
6AYK
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Crystal structure of TEM1 beta-lactamase mutant I263A in the presence of 1.2 MPa xenon
分子名称: Beta-lactamase TEM, XENON
著者Roose, B.W, Dmochowski, I.J.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 20, 2019
6Y3W
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Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1
分子名称: 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-02-19
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020

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件を2024-08-28に公開中

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