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PDB: 89111 results

7REI
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BU of 7rei by Molmil
The crystal structure of nickel bound human ADO C18S C239S variant
Descriptor: 2-aminoethanethiol dioxygenase, GLYCEROL, NICKEL (II) ION
Authors:Wang, Y, Shin, I, Li, J, Liu, A.
Deposit date:2021-07-12
Release date:2021-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of human cysteamine dioxygenase provides a structural rationale for its function as an oxygen sensor.
J.Biol.Chem., 297, 2021
4XYM
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BU of 4xym by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, Ca-AMPCP and HgCl+
Descriptor: CALCIUM ION, CHLORIDE ION, COENZYME A, ...
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2015-02-02
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
8Q9T
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BU of 8q9t by Molmil
CryoEM structure of a S. Cerevisiae Ski238 complex bound to RNA
Descriptor: Antiviral helicase SKI2, Antiviral protein SKI8, RNA (5'-R(P*UP*UP*UP*U)-3'), ...
Authors:Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E.
Deposit date:2023-08-21
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023
8A9S
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BU of 8a9s by Molmil
Crystal structure of Ca2+-discharged obelin in complex with coelenteramine-v
Descriptor: 3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol, DIMETHYL SULFOXIDE, Obelin, ...
Authors:Kovaleva, M.I, Natashin, P.V, Schevtsov, M.B, Eremeeva, E.V, Bukhdruker, S.S, Dmitrieva, D.A, Mishin, A.V, Vysotski, E.S, Borshchevskiy, V.I.
Deposit date:2022-06-29
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of semi-synthetic obelin-v after calcium induced bioluminescence implies coelenteramine as the main reaction product.
Sci Rep, 12, 2022
4XR5
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BU of 4xr5 by Molmil
X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
Authors:Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-01-20
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
6RIX
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BU of 6rix by Molmil
Crystal structure of MchDnaB-1 intein
Descriptor: CHLORIDE ION, Replicative DNA helicase
Authors:Beyer, H.M, Lountos, G.T, Mikula, M.K, Wlodawer, A, Iwai, H.
Deposit date:2019-04-25
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:The Convergence of the Hedgehog/Intein Fold in Different Protein Splicing Mechanisms.
Int J Mol Sci, 21, 2020
6RJ5
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BU of 6rj5 by Molmil
Crystal structure of PHGDH in complex with compound 39
Descriptor: 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
5KDU
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BU of 5kdu by Molmil
ZmpB metallopeptidase in complex with a2,6-Sialyl T-antigen
Descriptor: 1,2-ETHANEDIOL, F5/8 type C domain protein, SERINE, ...
Authors:Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6OTK
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BU of 6otk by Molmil
Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-596B
Descriptor: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-03
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.123 Å)
Cite:Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
6U4V
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BU of 6u4v by Molmil
Non-crosslinked wild type cysteine dioxygenase
Descriptor: Cysteine dioxygenase type 1, FE (III) ION
Authors:Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
7MTR
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BU of 7mtr by Molmil
CryoEM Structure of Full-Length mGlu2 Bound to Ago-PAM ADX55164 and Glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ...
Authors:Seven, A.B, Barros-Alvarez, X, Skiniotis, G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-09-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
6RJI
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BU of 6rji by Molmil
X-ray structure of the elongation factor P of S. aureus
Descriptor: Elongation factor P
Authors:Fatkhullin, B.F, Golubev, A.A, Gabdulkhakov, A.G, Khusainov, I.S, Validov, S.Z, Usachev, K.S, Yusupova, G, Yusupov, M.M.
Deposit date:2019-04-27
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus.
Eur.Biophys.J., 49, 2020
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
4RCO
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BU of 4rco by Molmil
1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
Descriptor: CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, Putative uncharacterized protein
Authors:Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E, Halavaty, A, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-09-16
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
TO BE PUBLISHED
8TT7
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BU of 8tt7 by Molmil
NMR Assignments and Structure for the Dimeric Kinesin Neck Domain
Descriptor: Kinesin heavy chain isoform 5C
Authors:Alexandrescu, A.T.
Deposit date:2023-08-12
Release date:2023-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR assignments and structure for the dimeric kinesin neck domain.
Biomol.Nmr Assign., 17, 2023
7TQS
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BU of 7tqs by Molmil
Coxsackievirus A21 capsid subdomain in complex with mouse polyclonal antibody pAbC-3
Descriptor: MYRISTIC ACID, VP1, VP2, ...
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2022-01-26
Release date:2023-01-04
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:High-resolution structural analysis of enterovirus-reactive polyclonal antibodies in complex with whole virions.
Pnas Nexus, 1, 2022
7TQU
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BU of 7tqu by Molmil
Coxsackievirus A21 capsid subdomain in complex with mouse polyclonal antibody pAbC-1
Descriptor: MYRISTIC ACID, VP1, VP2, ...
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2022-01-27
Release date:2023-01-04
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:High-resolution structural analysis of enterovirus-reactive polyclonal antibodies in complex with whole virions.
Pnas Nexus, 1, 2022
6EBO
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BU of 6ebo by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Unactivated Form
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Alapati, R.B, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7TQT
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BU of 7tqt by Molmil
Coxsackievirus A21 capsid subdomain in complex with mouse polyclonal antibody pAbC-5
Descriptor: MYRISTIC ACID, VP1, VP2, ...
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2022-01-27
Release date:2023-01-04
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:High-resolution structural analysis of enterovirus-reactive polyclonal antibodies in complex with whole virions.
Pnas Nexus, 1, 2022
6RL0
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BU of 6rl0 by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
Deposit date:2019-04-30
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
7MTS
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BU of 7mts by Molmil
CryoEM Structure of mGlu2 - Gi Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ...
Authors:Seven, A.B, Barros-Alvarez, X, Skiniotis, G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
8QEV
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BU of 8qev by Molmil
Crystal structure of ornithine transcarbamylase from Arabidopsis thaliana (AtOTC) in complex with carbamoyl phosphate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ornithine transcarbamylase, ...
Authors:Nielipinski, M, Pietrzyk-Brzezinska, A, Sekula, B.
Deposit date:2023-09-01
Release date:2023-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae .
Front Plant Sci, 14, 2023
4QT1
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BU of 4qt1 by Molmil
JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
Descriptor: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2014-07-07
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines
Bioorg.Med.Chem.Lett., 24, 2014
5XBH
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BU of 5xbh by Molmil
Crystal structure of R145E mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: Thymidylate kinase
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-17
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
FEBS J., 284, 2017
4RFZ
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BU of 4rfz by Molmil
Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]isoquinolin-1-one
Descriptor: 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015

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数据于2024-09-11公开中

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