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PDB: 6628 件

6QC2
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Ovine respiratory supercomplex I+III2 open class 2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-26
公開日2019-08-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6QEO
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Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC269
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2019-01-08
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
6RA7
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BU of 6ra7 by Molmil
Human tnik in complex with compound 9
分子名称: 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ...
著者Read, J.A.
登録日2019-04-05
公開日2019-11-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
8FAC
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BU of 8fac by Molmil
Structure of the leucine-rich repeat kinase 1 monomer
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1
著者Metcalfe, R.D, Martinez Fiesco, J.A, Zhang, P.
登録日2022-11-25
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structure and regulation of full-length human leucine-rich repeat kinase 1.
Nat Commun, 14, 2023
8G2V
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BU of 8g2v by Molmil
Cryo-EM structure of recombinant human LECT2 amyloid fibril core
分子名称: Leukocyte cell-derived chemotaxin-2
著者Richards, L.S, Flores, M.D, Zink, S, Schibrowsky, N.A, Sawaya, M.R, Rodriguez, J.A.
登録日2023-02-06
公開日2023-08-16
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.715 Å)
主引用文献Cryo-EM structure of a human LECT2 amyloid fibril reveals a network of polar ladders at its core.
Structure, 31, 2023
6RA5
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Human tnik in complex with compound 9
分子名称: 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase
著者Read, J.A.
登録日2019-04-05
公開日2020-05-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6R5R
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BU of 6r5r by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
8EUH
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BU of 8euh by Molmil
cytochrome P450terp (cyp108A1) bound to alpha-terpineol
分子名称: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gable, J.A, Follmer, A.H, Poulos, T.L.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
8EUK
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cytochrome P450terp (cyp108A1) bound to ethylene glycol
分子名称: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE
著者Gable, J.A, Follmer, A.H, Poulos, T.L.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
8EUL
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cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol
分子名称: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gable, J.A, Follmer, A.H, Poulos, T.L.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
6QWQ
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BU of 6qwq by Molmil
Structure of gtPebB
分子名称: Ferredoxin bilin reductase plastid, SULFATE ION
著者Sommerkamp, J.A, Hofmann, E.
登録日2019-03-06
公開日2019-08-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
8ESW
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BU of 8esw by Molmil
Structure of mitochondrial complex I from Drosophila melanogaster, Flexible-class 1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Padavannil, A, Letts, J.A.
登録日2022-10-15
公開日2023-03-29
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
8ESZ
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BU of 8esz by Molmil
Structure of mitochondrial complex I from Drosophila melanogaster, Helix-locked state
分子名称: (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Padavannil, A, Letts, J.A.
登録日2022-10-15
公開日2023-03-29
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
6QX6
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BU of 6qx6 by Molmil
Structure of gtPebB-dihydrobiliverdin complex
分子名称: 15,16-DIHYDROBILIVERDIN, Ferredoxin bilin reductase plastid, PENTAETHYLENE GLYCOL, ...
著者Sommerkamp, J.A, Hofmann, E.
登録日2019-03-07
公開日2019-08-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
6RIO
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BU of 6rio by Molmil
Imidazole Polyamide-DNA complex NMR structure (5'-CGATGTACATCG-3')
分子名称: 3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium, DNA (5'-(*(DC5)P*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*(DG3))-3')
著者Padroni, G, Withers, J.M, Taladriz-Sender, A, Reichenbach, L.F, Parkinson, J.A, Burley, G.A.
登録日2019-04-24
公開日2019-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Sequence-Selective Minor Groove Recognition of a DNA Duplex Containing Synthetic Genetic Components.
J.Am.Chem.Soc., 141, 2019
6ROJ
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BU of 6roj by Molmil
Cryo-EM structure of the activated Drs2p-Cdc50p
分子名称: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
著者Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
登録日2019-05-13
公開日2019-07-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
6RRK
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BU of 6rrk by Molmil
Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide
分子名称: Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog
著者Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-20
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
6ROI
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Cryo-EM structure of the partially activated Drs2p-Cdc50p
分子名称: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
登録日2019-05-13
公開日2019-07-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
8D3H
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BU of 8d3h by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 7-chloroquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3J
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BU of 8d3j by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 6-fluoro-2-methylquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 6-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3E
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BU of 8d3e by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-fluoroquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 6-fluoroquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3N
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BU of 8d3n by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 7-chloroquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3I
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BU of 8d3i by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with quinolin-4-amine
分子名称: 1,2-ETHANEDIOL, Apoptosis-inducing factor 1, mitochondrial, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3K
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BU of 8d3k by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 8-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
6SFC
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EED in complex with a methyl-thiazole
分子名称: CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Read, J.A.
登録日2019-08-01
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019

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