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5U22
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BU of 5u22 by Molmil
Structure of N2152 from Neocallimastix frontalis
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2016-11-29
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.748 Å)
Cite: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
Descriptor: 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2
Authors:Wang, L.
Deposit date:2022-08-30
Release date:2023-07-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 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, ...
Authors:Chen, Q, Rosenthal, P, Tolar, P.
Deposit date:2022-07-12
Release date:2022-10-26
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (8.5 Å)
Cite: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)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ...
Authors:Parui, P.P, Deshpande, M.S, Nagao, S, Kamikubo, H, Komori, H, Higuchi, Y, Kataoka, M, Hirota, S.
Deposit date:2013-05-25
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Abp1D Receptor Binding Domain
Authors:Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
Deposit date:2022-06-21
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: MAGNESIUM ION, Nuclease
Authors:Smerdon, S.J, Pennell, S, Li, J.
Deposit date:2014-05-08
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: FOCAL ADHESION KINASE 1
Authors:Arold, S.T, Hoellerer, M.K, Noble, M.E.M.
Deposit date:2001-09-18
Release date:2002-01-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: Abp2D Receptor Binding Domain R86E
Authors:Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
Deposit date:2022-07-05
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, L-lactate dehydrogenase, TERBIUM(III) ION, ...
Authors:Robin, A.Y, Girard, E, Madern, D.
Deposit date:2022-07-04
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-19
Release date:2023-03-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: NADPH-dependent carbonyl reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-10-24
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: (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, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-06-21
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.7 Å)
Cite: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
Descriptor: Aldehyde dehydrogenase, SODIUM ION
Authors:Ngo, H.P.T, Hong, S.H, Oh, D.K, Kang, L.W.
Deposit date:2014-05-19
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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, ...
Authors:Pereira, J.H, Prabhakar, P.K, Urbanowicz, B.R, Adams, P.D.
Deposit date:2022-06-01
Release date:2023-03-15
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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
Descriptor: Cytochrome P450 alkane hydroxylase, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
Authors:Opperman, D.J, Tolmie, C.
Deposit date:2022-09-14
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ...
Authors:Niwa, H, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 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, ...
Authors:Pereira, J.H, Prabhakar, P.K, Urbanowicz, B.R, Adams, P.D.
Deposit date:2022-06-01
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T.
Deposit date:2017-10-05
Release date:2018-07-25
Method:X-RAY DIFFRACTION (1.482 Å)
Cite: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
Descriptor: U-shaped TRANSCRIPTIONAL COFACTOR, ZINC ION
Authors:Kowalski, K, Mackay, J.P.
Deposit date:2001-07-23
Release date:2002-09-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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)
Descriptor: Endo-1,4-beta-xylanase
Authors:Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
Deposit date:2022-07-15
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite: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
Descriptor: Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE
Authors:Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
Deposit date:2016-11-08
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.374 Å)
Cite: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
Descriptor: Dehydroprecondylocarpine acetate synthase, SULFATE ION
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022

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PDB entries from 2024-07-17

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