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7AHC
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BU of 7ahc by Molmil
OpuA apo inward-facing
Descriptor: ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component
Authors:Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B.
Deposit date:2020-09-24
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
6TJ0
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BU of 6tj0 by Molmil
Crystal structure of the bacterial cellulose secretion regulator BcsE, residues 217-523, with bound c-di-GMP.
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Bacterial cellulose synthesis subunit E, GLYCEROL
Authors:Zouhir, S, Abidi, W, Krasteva, P.V.
Deposit date:2019-11-23
Release date:2020-07-29
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Multitasking of the c-di-GMP-Sensing Cellulose Secretion Regulator BcsE.
Mbio, 11, 2020
3TK4
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BU of 3tk4 by Molmil
Crystal structure of phenylalanine hydroxylase from Chromobacterium violaceum bound to cobalt
Descriptor: COBALT (II) ION, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2011-08-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
2JCC
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BU of 2jcc by Molmil
AH3 recognition of mutant HLA-A2 W167A
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, ...
Authors:Miller, P, Benhar, Y.P, Biddison, W, Collins, E.J.
Deposit date:2006-12-21
Release date:2007-10-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding.
J.Mol.Biol., 373, 2007
4RB0
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BU of 4rb0 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Apo-Fur
Descriptor: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
Authors:Deng, Z, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RAY
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BU of 4ray by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Apo-Fur
Descriptor: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
Authors:Deng, Z, Liu, Z, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
6VPG
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BU of 6vpg by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 in complex with AMP-PNP
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VPM
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BU of 6vpm by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MALONIC ACID, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
4RAZ
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BU of 4raz by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 holo-Fur
Descriptor: 1,2-ETHANEDIOL, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
Authors:Deng, Z, Wang, Q, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
7L0E
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BU of 7l0e by Molmil
Crystal structure of bovine RPE65 in complex with gem-difluoro emixustat and palmitate
Descriptor: (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D.
Deposit date:2020-12-11
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
6VPJ
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BU of 6vpj by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TPX2 fragment - Aurora A kinase domain fusion, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VPH
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BU of 6vph by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 modified with cacodylate and in complex with AMP-PNP
Descriptor: CHLORIDE ION, DITHIANE DIOL, GLYCEROL, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
3T4H
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BU of 3t4h by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
Authors:Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
6G7O
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BU of 6g7o by Molmil
Crystal structure of human alkaline ceramidase 3 (ACER3) at 2.7 Angstrom resolution
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Alkaline ceramidase 3,Soluble cytochrome b562, CALCIUM ION, ...
Authors:Leyrat, C, Vasiliauskaite-Brooks, I, Healey, R.D, Sounier, R, Grison, C, Hoh, F, Basu, S, Granier, S.
Deposit date:2018-04-06
Release date:2019-01-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a human intramembrane ceramidase explains enzymatic dysfunction found in leukodystrophy.
Nat Commun, 9, 2018
6VPL
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BU of 6vpl by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 7-80, and in complex with AMP-PNP
Descriptor: GLYCEROL, MAGNESIUM ION, MALONIC ACID, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
3T3Y
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BU of 3t3y by Molmil
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-25
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T4V
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BU of 3t4v by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ...
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3TCY
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BU of 3tcy by Molmil
Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum (cPAH) bound to phenylalanine in a site distal to the active site
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, PHENYLALANINE, ...
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2011-08-09
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
5X3R
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BU of 5x3r by Molmil
Crystal structure of the SmcR complexed with QStatin
Descriptor: 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole, LuxR family transcriptional regulator, SULFATE ION
Authors:Jang, S.Y, Hwang, J, Kim, M.H.
Deposit date:2017-02-07
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:QStatin, a Selective Inhibitor of Quorum Sensing inVibrioSpecies
MBio, 9, 2018
6LAB
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BU of 6lab by Molmil
169 bp nucleosome, harboring cohesive DNA termini, assembled with linker histone H1.0
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (169-MER), ...
Authors:Adhireksan, Z, Sharma, D, Bao, Q, Lee, P.L, Padavattan, S, Davey, C.A.
Deposit date:2019-11-12
Release date:2021-02-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6LA2
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BU of 6la2 by Molmil
343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0
Descriptor: DNA (343-MER), Histone H1.0, Histone H2A type 1-B/E, ...
Authors:Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
Deposit date:2019-11-11
Release date:2021-02-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6AHO
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BU of 6aho by Molmil
Crystal structure of Kap114p
Descriptor: Importin subunit beta-5
Authors:Liao, C.C, Shankar, S, Ahmed, G.R, Hsia, K.C.
Deposit date:2018-08-20
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Karyopherin Kap114p-mediated trans-repression controls ribosomal gene expression under saline stress.
Embo Rep., 21, 2020
7WFF
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BU of 7wff by Molmil
Subcomplexes B,M and L in the Cylic electron transfer supercomplex NDH-PSI from Arabidopsis
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Pan, X.W, Li, M.
Deposit date:2021-12-26
Release date:2022-03-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
5JKV
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BU of 5jkv by Molmil
HUMAN PLACENTAL AROMATASE CYTOCHROME P450 (CYP19A1) AT 2.75 ANGSTROM WITH BOUND POLYETHYLENE GLYCOL
Descriptor: 4-ANDROSTENE-3-17-DIONE, Aromatase, PENTAETHYLENE GLYCOL, ...
Authors:Ghosh, D, Lo, J, Egbuta, C.
Deposit date:2016-04-26
Release date:2017-04-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Testosterone complex and non-steroidal ligands of human aromatase.
J. Steroid Biochem. Mol. Biol., 2018
6VPI
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BU of 6vpi by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-PNP
Descriptor: MAGNESIUM ION, MALONIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020

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数据于2024-07-10公开中

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