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7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7K4M
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BU of 7k4m by Molmil
Crystal structure of MetAP2 Modified Hemoglobin S
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Musayev, F.N, Safo, M.K, Light, D.R.
Deposit date:2020-09-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
7Q29
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BU of 7q29 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
6XRI
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BU of 6xri by Molmil
MSMEG_2027 domain-swapped dimer
Descriptor: Uncharacterized protein
Authors:Jackson, C.J, Antoney, J.P, Ahmed, F.H.
Deposit date:2020-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of F420-H2 dependent oxidoreductase MSMEG_2027 in dimeric apo form.
To Be Published
8QND
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BU of 8qnd by Molmil
Crystal structure of the ribonucleoside hydrolase C from Lactobacillus reuteri
Descriptor: CALCIUM ION, Inosine-uridine nucleoside N-ribohydrolase
Authors:Matyuta, I.O, Minyaev, M.E, Shaposhnikov, L.A, Pometun, E.V, Tishkov, V.I, Popov, V.O, Boyko, K.M.
Deposit date:2023-09-26
Release date:2023-12-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Functional Examination of Novel Ribonucleoside Hydrolase C (RihC) from Limosilactobacillus reuteri LR1.
Int J Mol Sci, 25, 2023
5TVW
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BU of 5tvw by Molmil
Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg, hemi-hydrolyzed
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, ...
Authors:Elnatan, D, Betegon, M, Agard, D.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-11-10
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1.
Elife, 6, 2017
5EWL
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BU of 5ewl by Molmil
CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH MK-22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 2B, ...
Authors:Pandit, J.
Deposit date:2015-11-20
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:A Novel Binding Mode Reveals Two Distinct Classes of NMDA Receptor GluN2B-selective Antagonists.
Mol.Pharmacol., 89, 2016
7ZZK
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BU of 7zzk by Molmil
Structure of the N-acetyl-D-glucosamine oxidase from Ralstonia Solanacearum
Descriptor: ALANINE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Boverio, A, Rozeboom, H.J, Fraaije, M.W.
Deposit date:2022-05-25
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Engineering of a Bacterial Carbohydrate Oxidase.
Biochemistry, 62, 2023
7Q4S
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BU of 7q4s by Molmil
Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87, apo form.
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Endolysin, TETRAETHYLENE GLYCOL
Authors:Seoane-Blanco, M, van Raaij, M.J.
Deposit date:2021-11-02
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain.
Acta Crystallogr D Struct Biol, 78, 2022
7K6Y
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BU of 7k6y by Molmil
Structure of the PTP-like myo-inositol phosphatase from Desulfovibrio magneticus (high salt)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Van Herk, P.H, Cleland, C.P, Mosimann, S.C.
Deposit date:2020-09-21
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the PTP-like myo-inositol phosphatase from Desulfovibrio magneticus (high salt)
To Be Published
8QB3
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BU of 8qb3 by Molmil
ADDobody zinc containing condition
Descriptor: ADDobody, ZINC ION
Authors:Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C.
Deposit date:2023-08-24
Release date:2023-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
7Q4T
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BU of 7q4t by Molmil
Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87 bound to a peptidoglycan fragment.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALA-DGL, ...
Authors:Seoane-Blanco, M, van Raaij, M.J.
Deposit date:2021-11-02
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain.
Acta Crystallogr D Struct Biol, 78, 2022
8QFQ
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BU of 8qfq by Molmil
Ergothioneine dioxygenase, variant H147A, from Thermocatellispora tengchongensis in complex with manganese
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
7ZGW
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BU of 7zgw by Molmil
Serratia NucC apo form
Descriptor: Serratia NucC
Authors:Garcia-Doval, C, Mayo-Munoz, D, Smith, L.M, Fineran, P.C.
Deposit date:2022-04-04
Release date:2022-10-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Type III CRISPR-Cas provides resistance against nucleus-forming jumbo phages via abortive infection.
Mol.Cell, 82, 2022
7K1R
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BU of 7k1r by Molmil
X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
Descriptor: Beta xylosidase GH43, CALCIUM ION, GLYCEROL
Authors:Briganti, L, Capetti, C.C.M, Polikarpov, I.
Deposit date:2020-09-08
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
To Be Published
5TX5
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BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
Descriptor: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Campobasso, N, Ward, P, Thrope, J.
Deposit date:2016-11-15
Release date:2017-07-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
6XOD
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BU of 6xod by Molmil
Crystal structure of the PEX4-PEX22 protein complex from Arabidopsis thaliana
Descriptor: Peroxisome biogenesis protein 22, Protein PEROXIN-4
Authors:Olmos Jr, J.L, Bradford, S.E, Miller, M.D, Xu, W, Wright, Z.J, Bartel, B, Phillips Jr, G.N.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Structure of the Arabidopsis PEX4-PEX22 Peroxin Complex-Insights Into Ubiquitination at the Peroxisomal Membrane
Front Cell Dev Biol, 10, 2022
8QC3
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BU of 8qc3 by Molmil
Crystal structure of oxidoreductive sulfoquinovosidase from Arthrobacter sp. U41 (ArSqgA)in complex with co-factor NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-25
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
7K67
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BU of 7k67 by Molmil
Structure of the PTP-like myo-inositol phosphatase from Desulfovibrio magneticus
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, Myo-inositol phosphohydrolase, ...
Authors:Cleland, C.P, Van Herk, P.H, Mosimann, S.C.
Deposit date:2020-09-18
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the PTP-like myo-inositol phosphatase from Desulfovibrio magneticus
To Be Published
8R8A
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BU of 8r8a by Molmil
Structure of the N-terminal domain of CMA in complex with N-acetyllactosamine
Descriptor: CADMIUM ION, Nigrin b-like, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Lundstrom, J, Varrot, A.
Deposit date:2023-11-28
Release date:2023-12-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.317 Å)
Cite:Elucidating the glycan-binding specificity and structure of Cucumis melo agglutinin, a new R-type lectin.
Beilstein J Org Chem, 20, 2024
7ZOT
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BU of 7zot by Molmil
crystal structure of PLAAT4 N-terminal domain
Descriptor: DI(HYDROXYETHYL)ETHER, Phospholipase A and acyltransferase 4
Authors:von Castelmur, E, Perrakis, A, Cornaciu, I.
Deposit date:2022-04-26
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:Crystal structure of the phospholipase A and acyltransferase 4 (PLAAT4) catalytic domain.
J.Struct.Biol., 214, 2022
5TXI
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BU of 5txi by Molmil
Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with ceftobiprole
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-16
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
8QFM
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BU of 8qfm by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese
Descriptor: 1,2-ETHANEDIOL, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
7K6W
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BU of 7k6w by Molmil
Structure of the PTP-like myo-inositol phosphatase from Desulfovibrio magneticus in complex with myo-inositol hexakisphosphate
Descriptor: ACETATE ION, INOSITOL HEXAKISPHOSPHATE, Myo-inositol phosphohydrolase, ...
Authors:Cleland, C.P, Mosimann, S.C.
Deposit date:2020-09-21
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the PTP-like myo-inositol phosphatase from Desulfovibrio magneticus in complex with myo-inositol hexakisphosphate
To Be Published

224201

數據於2024-08-28公開中

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