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5U22
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BU of 5u22 by Molmil
Structure of N2152 from Neocallimastix frontalis
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
著者Jones, D.R, Abbott, D.W.
登録日2016-11-29
公開日2017-06-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Discovery and characterization of family 39 glycoside hydrolases from rumen anaerobic fungi with polyspecific activity on rare arabinosyl substrates.
J. Biol. Chem., 292, 2017
8GQU
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BU of 8gqu by Molmil
AK-42 inhibitor binding human ClC-2 TMD
分子名称: 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2
著者Wang, L.
登録日2022-08-30
公開日2023-07-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42.
Nat Commun, 14, 2023
8AE2
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BU of 8ae2 by Molmil
Cryo-EM structure of full-length human immunoglobulin M - F(ab')2 conformation 5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgM C2-domain from mouse, ...
著者Chen, Q, Rosenthal, P, Tolar, P.
登録日2022-07-12
公開日2022-10-26
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Cryomicroscopy reveals the structural basis for a flexible hinge motion in the immunoglobulin M pentamer.
Nat Commun, 13, 2022
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
3WC8
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BU of 3wc8 by Molmil
Dimeric horse cytochrome c obtained by refolding with desalting method
分子名称: Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ...
著者Parui, P.P, Deshpande, M.S, Nagao, S, Kamikubo, H, Komori, H, Higuchi, Y, Kataoka, M, Hirota, S.
登録日2013-05-25
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Formation of Oligomeric Cytochrome c during Folding by Intermolecular Hydrophobic Interaction between N- and C-Terminal alpha-Helices
Biochemistry, 52, 2013
8DF0
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BU of 8df0 by Molmil
Abp1D receptor binding domain
分子名称: Abp1D Receptor Binding Domain
著者Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
登録日2022-06-21
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
4QBO
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BU of 4qbo by Molmil
VRR_NUC domain
分子名称: MAGNESIUM ION, Nuclease
著者Smerdon, S.J, Pennell, S, Li, J.
登録日2014-05-08
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
1K05
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BU of 1k05 by Molmil
Crystal structure of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase
分子名称: FOCAL ADHESION KINASE 1
著者Arold, S.T, Hoellerer, M.K, Noble, M.E.M.
登録日2001-09-18
公開日2002-01-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The structural basis of localization and signaling by the focal adhesion targeting domain.
Structure, 10, 2002
8DKA
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BU of 8dka by Molmil
Abp2D receptor binding domain R86E
分子名称: Abp2D Receptor Binding Domain R86E
著者Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
登録日2022-07-05
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
8AB2
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BU of 8ab2 by Molmil
Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in its apo form.
分子名称: 1,2-ETHANEDIOL, L-lactate dehydrogenase, TERBIUM(III) ION, ...
著者Robin, A.Y, Girard, E, Madern, D.
登録日2022-07-04
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery.
Mol.Biol.Evol., 40, 2023
8CWL
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BU of 8cwl by Molmil
Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
著者Huang, W, Taylor, D.J.
登録日2022-05-19
公開日2023-03-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
5TQV
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BU of 5tqv by Molmil
Crystal structure of NADP-dependent carbonyl reductase from Burkholderia multivorans
分子名称: NADPH-dependent carbonyl reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-10-24
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of NADP-dependent carbonyl reductase from Burkholderia multivorans
TO BE PUBLISHED
8DEY
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BU of 8dey by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709
分子名称: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
著者Ma, X, Ornelas, E, Clifton, M.C.
登録日2022-06-21
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
4QET
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BU of 4qet by Molmil
Structure of Aldehyde Dehydrogenase from Bacillus cereus, G224D mutant
分子名称: Aldehyde dehydrogenase, SODIUM ION
著者Ngo, H.P.T, Hong, S.H, Oh, D.K, Kang, L.W.
登録日2014-05-19
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Kinetic Analysis for Cofactor-binding Residues in Mammalian-like Aldehyde Dehydrogenase from Bacillus cereus Involved in Oxidation and Reduction Activity for All-trans-retinal
To be Published
8D3T
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BU of 8d3t by Molmil
Crystal structure of GalS1 from Populus trichocarpas
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pereira, J.H, Prabhakar, P.K, Urbanowicz, B.R, Adams, P.D.
登録日2022-06-01
公開日2023-03-15
最終更新日2023-04-05
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural and biochemical insight into a modular beta-1,4-galactan synthase in plants.
Nat.Plants, 9, 2023
8B2P
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BU of 8b2p by Molmil
CYP153A71 from Acinetobacter dieselolei bound to octanoic acid
分子名称: Cytochrome P450 alkane hydroxylase, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
著者Opperman, D.J, Tolmie, C.
登録日2022-09-14
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CYP153A71 from Alcanivorax dieselolei: Oxidation beyond Monoterminal Hydroxylation of n-Alkanes
Catalysts, 2022
3WF7
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BU of 3wf7 by Molmil
Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
分子名称: 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ...
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-07-17
公開日2014-08-06
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
8D3Z
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BU of 8d3z by Molmil
Crystal structure of GalS1 in complex with Manganese from Populus trichocarpas
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Galactan synthase, ...
著者Pereira, J.H, Prabhakar, P.K, Urbanowicz, B.R, Adams, P.D.
登録日2022-06-01
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural and biochemical insight into a modular beta-1,4-galactan synthase in plants.
Nat.Plants, 9, 2023
6B7V
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BU of 6b7v by Molmil
Structure of hen egg-white lysozyme pre-treated with high-pressure homogenization at 120 MPa
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T.
登録日2017-10-05
公開日2018-07-25
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme
Innov Food Sci Emerg Technol, 47, 2018
1JN7
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BU of 1jn7 by Molmil
Solution Structure of a CCHH mutant of the ninth CCHC Zinc Finger of U-shaped
分子名称: U-shaped TRANSCRIPTIONAL COFACTOR, ZINC ION
著者Kowalski, K, Mackay, J.P.
登録日2001-07-23
公開日2002-09-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Characterization of the Conserved Interaction between GATA and FOG Family Proteins
J.Biol.Chem., 277, 2002
8AF6
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BU of 8af6 by Molmil
Room temperature SSX structure of GH11 xylanase from Nectria haematococca (4000 frames)
分子名称: Endo-1,4-beta-xylanase
著者Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
8DJD
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BU of 8djd by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
分子名称: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-06-30
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.
Bioorg.Med.Chem.Lett., 81, 2023
5MBC
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BU of 5mbc by Molmil
Structure of a bacterial light-regulated adenylyl cylcase
分子名称: Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
8DJE
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BU of 8dje by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
分子名称: (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-06-30
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.374 Å)
主引用文献Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
8B27
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BU of 8b27 by Molmil
Dihydroprecondylocarpine acetate synthase from Catharanthus roseus
分子名称: Dehydroprecondylocarpine acetate synthase, SULFATE ION
著者Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
登録日2022-09-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022

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