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PDB: 88675 件

8B53
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Structure of porcine pancreatic elastase bound to a fragment of a 4-azaindole inhibitor
分子名称: 3-methylbenzoic acid, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Gerace, A.
登録日2022-09-21
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
6QVZ
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The Transcriptional Regulator PrfA-L140H mutant from Listeria Monocytogenes
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION
著者Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
登録日2019-03-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
5L2T
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BU of 5l2t by Molmil
The X-ray co-crystal structure of human CDK6 and Ribociclib.
分子名称: 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
6WC8
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BU of 6wc8 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
分子名称: IODIDE ION, Integrase, SULFATE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-03-29
公開日2021-03-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
7M9W
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HIV-1 Protease (I84V) in Complex with NR02-73
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献HIV-1 Protease (I84V) in Complex with NR02-73
To Be Published
7M9S
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HIV-1 Protease WT (NL4-3) in Complex with NR01-141
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献HIV-1 Protease WT (NL4-3) in Complex with NR01-141
To Be Published
6QRB
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BU of 6qrb by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development of Inhibitors against Mycobacterium abscessus tRNA (m 1 G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
7M9X
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HIV-1 Protease (I84V) in Complex with NR02-79
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献HIV-1 Protease (I84V) in Complex with NR02-79
To Be Published
6TZO
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BU of 6tzo by Molmil
Crystal Structure of Fungal RNA Kinase
分子名称: 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase
著者Shuman, S, Goldgur, Y, Banerjee, A.
登録日2019-08-12
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
6EGW
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BU of 6egw by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117
分子名称: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, alpha-D-ribofuranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-09-12
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
7R4X
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BU of 7r4x by Molmil
Cryo-EM reconstruction of the human 40S ribosomal subunit - Full map
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Pellegrino, S, Dent, K.C, Spikes, T, Warren, A.J.
登録日2022-02-09
公開日2023-02-22
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Cryo-EM reconstruction of the human 40S ribosomal subunit at 2.15 angstrom resolution.
Nucleic Acids Res., 51, 2023
7R2M
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BU of 7r2m by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (9mer).
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-04
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
6WFV
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BU of 6wfv by Molmil
The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Guo, H.-F, Tsai, C.-L, Miller, M.D, Phillips Jr, G.N, Tainer, J.A, Kurie, J.M.
登録日2020-04-04
公開日2021-04-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human
To Be Published
6QXT
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BU of 6qxt by Molmil
Cas1-Cas2-Csn2-DNA dimer complex from the Type II-A CRISPR-Cas system
分子名称: CALCIUM ION, CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, ...
著者Wilkinson, M, Drabavicius, G, Silanskas, A, Gasiunas, G, Siksnys, V, Wigley, D.B.
登録日2019-03-08
公開日2019-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.9 Å)
主引用文献Structure of the DNA-Bound Spacer Capture Complex of a Type II CRISPR-Cas System.
Mol.Cell, 75, 2019
8GUV
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BU of 8guv by Molmil
LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
分子名称: CALCIUM ION, PA-I galactophilic lectin, Tolcapone
著者Kuhaudomlarp, S, Siebs, E, Varrot, A, Imberty, A, Titz, A.
登録日2022-09-13
公開日2023-07-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
To Be Published
6QU6
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BU of 6qu6 by Molmil
Adenovirus Serotype 26 (Ad26) in complex with sialic acid, pH4.0
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fiber, ...
著者Baker, A.T, Mundy, R.M, Parker, A.L, Rizkallah, P.J.
登録日2019-02-26
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
5I6L
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BU of 5i6l by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 2.76 MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Hough, M.A, Strange, R.W.
登録日2016-02-16
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
5I6K
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Crystal Structure of Copper Nitrite Reductase at 100K after 0.69 MGy
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Horrell, S, Hough, M.A, Strange, R.W.
登録日2016-02-16
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
7RAT
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BU of 7rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
分子名称: RIBONUCLEASE A
著者Tiltonjunior, R.F, Dewan, J.C, Petsko, G.A, Gilbert, W.
登録日1991-08-13
公開日1993-07-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
8SLB
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BU of 8slb by Molmil
X-ray structure of CorA N-terminal domain in complex with conformation-specific synthetic antibody C12
分子名称: CHLORIDE ION, Cobalt/magnesium transport protein CorA, sAB C12 Heavy Chain, ...
著者Dominik, P.K, Erramilli, S.K, Reddy, B.G, Kossiakoff, A.A.
登録日2023-04-21
公開日2023-06-07
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Conformation-specific Synthetic Antibodies Discriminate Multiple Functional States of the Ion Channel CorA.
J.Mol.Biol., 435, 2023
5L16
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Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major
分子名称: Putative selenophosphate synthetase, SULFATE ION
著者Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
7P0J
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BU of 7p0j by Molmil
Crystal structure of S.pombe Mdb1 BRCT domains
分子名称: CITRIC ACID, DNA damage response protein Mdb1, MAGNESIUM ION, ...
著者Day, M, Oliver, A.W, Pearl, L.H.
登録日2021-06-29
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
8GBQ
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Structure of RNF125 in complex with UbcH5b
分子名称: E3 ubiquitin-protein ligase RNF125, GLYCEROL, Ubiquitin-conjugating enzyme E2 D2, ...
著者Middleton, A.J, Day, C.L, Fokkens, T.J.
登録日2023-02-27
公開日2023-07-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation.
Structure, 31, 2023
7MXO
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BU of 7mxo by Molmil
CryoEM structure of human NKCC1
分子名称: CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 2
著者Moseng, M.A.
登録日2021-05-19
公開日2022-09-28
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
6U5F
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BU of 6u5f by Molmil
CryoEM Structure of Pyocin R2 - precontracted - collar
分子名称: Collar PA0615, Sheath PA0622, Tube PA0623
著者Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H.
登録日2019-08-27
公開日2020-04-15
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020

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