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PDB: 5628 件

6B88
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E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide)
分子名称: (8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide, PENTAETHYLENE GLYCOL, Signal peptidase I
著者Murray, J.M, Rouge, L.
登録日2017-10-05
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Optimized arylomycins are a new class of Gram-negative antibiotics.
Nature, 561, 2018
7PFJ
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20 minute Fe2+ soaked structure of SynFtn Variant E141A
分子名称: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7PF8
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SynFtn Variant E141A
分子名称: CHLORIDE ION, Ferritin, SODIUM ION
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7PFB
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2 minute Fe2+ soaked structure of SynFtn Variant D65A
分子名称: CHLORIDE ION, FE (III) ION, Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7PFI
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BU of 7pfi by Molmil
20 minute Fe2+ soaked structure of SynFtn Variant D65A
分子名称: CHLORIDE ION, FE (III) ION, Ferritin, ...
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
6PK6
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BU of 6pk6 by Molmil
Human PRPF4B bound to benzothiophene inhibitor 329
分子名称: 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-28
公開日2019-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献to be published
To Be Published
7PF7
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BU of 7pf7 by Molmil
Apo structure of SynFtn variant D65A
分子名称: CHLORIDE ION, Ferritin, SODIUM ION
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7PFK
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BU of 7pfk by Molmil
20 minute Fe2+ soaked structure of SynFtn variant E141D
分子名称: CHLORIDE ION, FE (III) ION, Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7PFH
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BU of 7pfh by Molmil
2 minute Fe2+ soak structure of SynFtn E141D
分子名称: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
4XBR
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BU of 4xbr by Molmil
In cellulo Crystal Structure of PAK4 in complex with Inka
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein FAM212A,Serine/threonine-protein kinase PAK 4
著者Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C.
登録日2014-12-17
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1
Nat Commun, 6, 2015
7PFG
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BU of 7pfg by Molmil
2 minute Fe2+ soaked structure of SynFtn Variant E141A
分子名称: CHLORIDE ION, FE (III) ION, Ferritin, ...
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7PF9
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BU of 7pf9 by Molmil
SynFtn Variant E141D
分子名称: CHLORIDE ION, Ferritin, SODIUM ION
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
4XDS
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BU of 4xds by Molmil
Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel
分子名称: Deoxyguanosinetriphosphate triphosphohydrolase, NICKEL (II) ION, SULFATE ION
著者Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M.
登録日2014-12-19
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.354 Å)
主引用文献Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
7PIM
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BU of 7pim by Molmil
Partial structure of tyrosine hydroxylase lacking the first 35 residues in complex with dopamine.
分子名称: FE (III) ION, L-DOPAMINE, Regulatory domain alpha-helix, ...
著者Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
登録日2021-08-20
公開日2021-12-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
6PR4
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BU of 6pr4 by Molmil
D262N/S128A S. typhimurium siroheme synthase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
5KBW
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BU of 5kbw by Molmil
Crystal structure of TmRibU, the riboflavin-binding S subunit from the Thermotoga maritima ECF transporter
分子名称: RIBOFLAVIN, Riboflavin transporter RibU
著者Karpowich, N.K, Wang, D.N, Song, J.M.
登録日2016-06-03
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6093 Å)
主引用文献An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin.
J.Mol.Biol., 428, 2016
4XY3
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BU of 4xy3 by Molmil
Structure of ESX-1 secreted protein EspB
分子名称: ESX-1 secretion-associated protein EspB
著者Wagner, J.M, Korotkov, K.V.
登録日2015-02-01
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structure of EspB, a secreted substrate of the ESX-1 secretion system of Mycobacterium tuberculosis.
J.Struct.Biol., 191, 2015
7PRG
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BU of 7prg by Molmil
Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-21
公開日2022-01-12
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
7PSY
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BU of 7psy by Molmil
X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
4XTD
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BU of 4xtd by Molmil
Structure of the covalent intermediate E-XMP* of the IMP dehydrogenase of Ashbya gossypii
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Buey, R.M, Ledesma-Amaro, R, Balsera, M, de Pereda, J.M, Revuelta, J.L.
登録日2015-01-23
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii.
Appl.Microbiol.Biotechnol., 99, 2015
6P7C
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BU of 6p7c by Molmil
D104A/S128A S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-06-05
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
7K44
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BU of 7k44 by Molmil
SGBP-B from a complex xyloglucan utilization locus in Bacteroides uniformis
分子名称: CALCIUM ION, SGBP-B
著者Brumer, H, Van Petegem, F, Grondin, J.M.
登録日2020-09-14
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cell Surface Xyloglucan Recognition and Hydrolysis by the Human Gut Commensal Bacteroides uniformis.
Appl.Environ.Microbiol., 88, 2022
7K9K
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SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2H04 (local refinement)
分子名称: 2H04 heavy chain, 2H04 light chain, Spike protein S1, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021

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