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6FL8
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BU of 6fl8 by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP
Descriptor: 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-01-25
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6F86
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BU of 6f86 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide
Descriptor: 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B
Authors:Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
Deposit date:2017-12-12
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6CSU
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BU of 6csu by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
Descriptor: Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa
Authors:Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
Deposit date:2018-03-21
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
6F94
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BU of 6f94 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide
Descriptor: 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B
Authors:Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
Deposit date:2017-12-14
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6FIS
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BU of 6fis by Molmil
Human cytosolic 5'-nucleotidase II soaked with 10mM 7-Benzyloxymethyl-7H-adenine
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
7MZW
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BU of 7mzw by Molmil
Anaplastic lymphoma kinase (ALK) extracellular ligand binding region 673-1025
Descriptor: ALK tyrosine kinase receptor
Authors:Rossi, P, Sowaileh, M, Reshetnyak, A.V, Kalodimos, C.G.
Deposit date:2021-05-24
Release date:2021-12-08
Last modified:2021-12-15
Method:SOLUTION NMR
Cite:Mechanism for the activation of the anaplastic lymphoma kinase receptor.
Nature, 600, 2021
6FIW
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BU of 6fiw by Molmil
Human cytosolic 5'-nucleotidase II co-crystallized with 10mM Sodium ((4-(3'-((7H-purin-6-yl)carbamoyl)-[1,1'-biphenyl]-3-yl)-1H-imidazol-1-yl) methyl) phosphonate
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
7ND2
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BU of 7nd2 by Molmil
Cryo-EM structure of the human FERRY complex
Descriptor: Glutamine amidotransferase-like class 1 domain-containing protein 1, Protein phosphatase 1 regulatory subunit 21, Quinone oxidoreductase-like protein 1
Authors:Quentin, D, Klink, B.U, Raunser, S.
Deposit date:2021-01-29
Release date:2022-03-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of mRNA binding by the human FERRY Rab5 effector complex.
Mol.Cell, 83, 2023
6E4T
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BU of 6e4t by Molmil
Structure of AMPK bound to activator
Descriptor: 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Calabrese, M.F, Kurumbail, R.G.
Deposit date:2018-07-18
Release date:2018-08-08
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK).
J. Med. Chem., 61, 2018
6E4U
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BU of 6e4u by Molmil
Structure of AMPK bound to activator
Descriptor: 1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Calabrese, M.F, Kurumbail, R.G.
Deposit date:2018-07-18
Release date:2018-08-08
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK).
J. Med. Chem., 61, 2018
6E4W
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BU of 6e4w by Molmil
Structure of AMPK bound to activator
Descriptor: 1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Calabrese, M.F, Kurumbail, R.G.
Deposit date:2018-07-18
Release date:2018-08-08
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK).
J. Med. Chem., 61, 2018
7NQD
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BU of 7nqd by Molmil
Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137
Descriptor: TPR_REGION domain-containing protein
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2021-03-01
Release date:2022-05-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
7NQF
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BU of 7nqf by Molmil
Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 with dsDNA
Descriptor: COBALT (II) ION, DNA(CGTGDG), TPR_REGION domain-containing protein
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2021-03-01
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
7NQE
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BU of 7nqe by Molmil
Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 with dGTP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2021-03-01
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
6FFC
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BU of 6ffc by Molmil
Structure of an inhibitor-bound ABC transporter
Descriptor: ATP-binding cassette sub-family G member 2, ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P.
Deposit date:2018-01-06
Release date:2018-04-11
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6FEQ
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BU of 6feq by Molmil
Structure of inhibitor-bound ABCG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P.
Deposit date:2018-01-03
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6FIR
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BU of 6fir by Molmil
Human cytosolic 5'-nucleotidase II soaked with 5mM3-Phenyl-N-(9H-purin-6-yl)benzamide
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
6FIU
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BU of 6fiu by Molmil
Human cytosolic 5'-nucleotidase II soaked with 10mM 2-(6-([1,1'-Biphenyl]-3-carboxamido)-9H-purin-9-yl)acetic acid
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
6FL3
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BU of 6fl3 by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ...
Authors:Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-01-25
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6FJK
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BU of 6fjk by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-01-22
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.025 Å)
Cite:A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
7SP4
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BU of 7sp4 by Molmil
In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 2 at 3.71A resolution
Descriptor: Gene 3 protein, Gene 5 protein, Gene 7 protein
Authors:Li, F, Cingolani, G, Hou, C, Yang, R.
Deposit date:2021-11-02
Release date:2022-11-09
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine.
Sci Adv, 8, 2022
7SPU
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BU of 7spu by Molmil
In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 1 at 3.73A resolution
Descriptor: Gene 3 protein, Gene 5 protein, Gene 7 protein
Authors:Li, F, Cingolani, G, Hou, C, Yang, R.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine.
Sci Adv, 8, 2022
7TB9
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BU of 7tb9 by Molmil
Structural characterization of the biological synthetic peptide pCEMP1
Descriptor: CEMP1-p1
Authors:Lopez Giraldo, A, del Rio Portilla, F, Nidome Campos, M, Romo Arevalo, E, Arzate, H.
Deposit date:2021-12-21
Release date:2023-01-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of cementum protein 1 derived peptide (CEMP1-p1) and its role in the mineralization process.
J.Pept.Sci., 29, 2023
8D0K
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BU of 8d0k by Molmil
Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template - PRIM2C advanced PIC
Descriptor: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
Authors:He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C.
Deposit date:2022-05-26
Release date:2022-06-22
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.27 Å)
Cite:Structures of the human CST-Pol alpha-primase complex bound to telomere templates.
Nature, 608, 2022
8D0B
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BU of 8d0b by Molmil
Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template
Descriptor: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
Authors:He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C.
Deposit date:2022-05-26
Release date:2022-06-22
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structures of the human CST-Pol alpha-primase complex bound to telomere templates.
Nature, 608, 2022

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数据于2024-07-24公开中

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