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7O5W
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BU of 7o5w by Molmil
Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA)from Sphingomonas wittichii RW1
Descriptor: BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-09
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7O87
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BU of 7o87 by Molmil
Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-14
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7OBU
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BU of 7obu by Molmil
Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1, with the active site in the resting and the active state
Descriptor: 3-HYDROXYPYRUVIC ACID, HpcH/HpaI aldolase, MAGNESIUM ION, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-23
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7O5I
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BU of 7o5i by Molmil
Crystal structure of apo-SwHKA (Hydroxy ketone aldolase) from Sphingomonas wittichii RW1
Descriptor: BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-08
Release date:2022-11-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7O5V
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BU of 7o5v by Molmil
Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1, in complex with Hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, BROMIDE ION, HpcH/HpaI aldolase, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7P2E
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BU of 7p2e by Molmil
Human mitochondrial ribosome small subunit in complex with IF3, GMPPMP and streptomycin
Descriptor: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
Authors:Itoh, Y, Khawaja, A, Singh, V, Rorbach, J, Amunts, A.
Deposit date:2021-07-05
Release date:2022-07-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure of the mitoribosomal small subunit with streptomycin reveals Fe-S clusters and physiological molecules.
Elife, 11, 2022
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
Descriptor: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
6SU0
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BU of 6su0 by Molmil
Crystal structure of dimethylated RSLex in complex with cucurbit[7]uril
Descriptor: Fucose-binding lectin protein, SODIUM ION, cucurbit[7]uril, ...
Authors:Guagnini, F, Engilberge, S, Crowley, P.B.
Deposit date:2019-09-12
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Engineered assembly of a protein-cucurbituril biohybrid.
Chem.Commun.(Camb.), 56, 2020
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
8SBB
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BU of 8sbb by Molmil
Cryo-EM structure of FtAlkB
Descriptor: Alkane 1-monooxygenase, DODECANE, FE (III) ION, ...
Authors:Zhang, J, Feng, L.
Deposit date:2023-04-03
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure and mechanism of the alkane-oxidizing enzyme AlkB.
Nat Commun, 14, 2023
2L0X
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BU of 2l0x by Molmil
Solution structure of the 21 kDa GTPase RHEB bound to GDP
Descriptor: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Stoll, R, Heumann, R, Berghaus, C, Kock, G.
Deposit date:2010-07-19
Release date:2010-08-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Ras homolog enriched in brain (Rheb) enhances apoptotic signaling.
J.Biol.Chem., 285, 2010
5YWX
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BU of 5ywx by Molmil
Crystal structure of hematopoietic prostaglandin D synthase in complex with F092
Descriptor: GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ...
Authors:Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A.
Deposit date:2017-11-30
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Bioorg. Med. Chem., 26, 2018
2LQ7
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BU of 2lq7 by Molmil
E2 binding surface on Uba3 beta-grasp domain undergoes a conformational transition
Descriptor: NEDD8-activating enzyme E1 catalytic subunit
Authors:Elgin, E.S, Peterson, F.C, Volkman, B.F.
Deposit date:2012-02-27
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:E2-binding surface on Uba3 beta-grasp domain undergoes a conformational transition.
Proteins, 80, 2012
2M9J
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BU of 2m9j by Molmil
NMR solution structure of Pin1 WW domain mutant 6-1g
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
Deposit date:2013-06-10
Release date:2013-06-26
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
2M9F
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BU of 2m9f by Molmil
NMR solution structure of Pin1 WW domain mutant 5-1g
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
Deposit date:2013-06-07
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
3CJ7
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BU of 3cj7 by Molmil
Structure of Rattus norvegicus NTPDase2 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Ectonucleoside triphosphate diphosphohydrolase 2
Authors:Zebisch, M, Strater, N.
Deposit date:2008-03-12
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
4B3M
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BU of 4b3m by Molmil
Crystal structure of the 30S ribosome in complex with compound 1
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C.
Deposit date:2012-07-25
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
4TZ1
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BU of 4tz1 by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritriose
Descriptor: Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-07-09
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4KZ1
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BU of 4kz1 by Molmil
Crystal structure of the soluble domain of VirB8 from Bartonella grahamii
Descriptor: VirB8 protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-05-29
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
7SGT
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BU of 7sgt by Molmil
Domain III (EDIII) of the POWV E glycoprotein
Descriptor: Envelope protein E
Authors:Harris, R, Cahill, S.M, Cowburn, D.
Deposit date:2021-10-07
Release date:2022-05-18
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:A Powassan virus domain III nanoparticle immunogen elicits neutralizing and protective antibodies in mice.
Plos Pathog., 18, 2022
4BHI
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BU of 4bhi by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate
Descriptor: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-04-03
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
Authors:Klei, H.E.
Deposit date:2008-09-25
Release date:2008-12-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
4TZ5
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BU of 4tz5 by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminarihexaose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-07-09
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
3CQZ
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BU of 3cqz by Molmil
Crystal structure of 10 subunit RNA polymerase II in complex with the inhibitor alpha-amanitin
Descriptor: ALPHA-AMANITIN, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, ...
Authors:Kaplan, C.D, Larsson, K.-M, Kornberg, R.D.
Deposit date:2008-04-03
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The RNA Polymerase II Trigger Loop Functions in Substrate Selection and is Directly Targeted by Alpha-Amanitin.
Mol.Cell, 30, 2008
4U2Z
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BU of 4u2z by Molmil
X-ray crystal structure of an Sco GlgEI-V279S/1,2,2-trifluromaltose complex
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-18
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Synthesis of 2-deoxy-2,2-difluoro-alpha-maltosyl fluoride and its X-ray structure in complex with Streptomyces coelicolor GlgEI-V279S.
Org.Biomol.Chem., 13, 2015

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數據於2024-10-16公開中

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