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5CVF
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BU of 5cvf by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
Descriptor: 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-26
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
8W0J
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BU of 8w0j by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor
To be published
8S6M
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BU of 8s6m by Molmil
SARS-CoV-2 BQ.1.1 RBD bound to the S2V29 and the S2H97 Fab fragments
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Errico, J.M, Park, Y.J, Rietz, T, Czudnochowski, N, Nix, J.C, Cameroni, E, Corti, D, Snell, G, Marco, A.D, Pinto, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2024-02-28
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification.
Cell, 2024
8W0H
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BU of 8w0h by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
To be published
7PT5
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BU of 7pt5 by Molmil
Crystal structure of the CH domain of human CEP44
Descriptor: Centrosomal protein of 44 kDa
Authors:Rosa e Silva, I, van Breugel, M.
Deposit date:2021-09-26
Release date:2022-04-06
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural validation and assessment of AlphaFold2 predictions for centrosomal and centriolar proteins and their complexes.
Commun Biol, 5, 2022
5DIO
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BU of 5dio by Molmil
Crystal structure of unnamed thioesterase lpg2867 from Legionella pneumophila, the D21A mutant
Descriptor: Thioesterase
Authors:Swarbrick, C.M.D, Forwood, J.K.
Deposit date:2015-09-01
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of unnamed thioesterase lpg2867 from Legionella pneumophila, the D21A mutant
To Be Published
8OVV
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BU of 8ovv by Molmil
Tagless BtuM in complex with hydroxycobalamin
Descriptor: COBALAMIN, Cobalamin ABC transporter, nonyl beta-D-glucopyranoside
Authors:Martinez-Felices, J.M, Slotboom, D.J.
Deposit date:2023-04-26
Release date:2024-04-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of the Thiobacillus denitrificans cobalamin transporter BtuM in complex with cyanocobalamin
To Be Published
5DIV
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BU of 5div by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide
Descriptor: (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2015-09-01
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
7PW1
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BU of 7pw1 by Molmil
Crystal structure of ancestral haloalkane dehalogenase AncLinB-DmbA
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Mazur, A, Grinkevich, P, Prudnikova, T.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of the Ancestral Haloalkane Dehalogenase AncLinB-DmbA.
Int J Mol Sci, 22, 2021
5UJ8
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BU of 5uj8 by Molmil
Human Origin Recognition Complex subunits 2 and 3
Descriptor: Origin recognition complex subunit 2, Origin recognition complex subunit 3
Authors:Tocilj, A, On, K.F, Elkayam, E, Joshua-Tor, L.
Deposit date:2017-01-17
Release date:2017-02-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
7VPY
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BU of 7vpy by Molmil
Crystal structure of the neutralizing nanobody P86 against SARS-CoV-2
Descriptor: 1,2-ETHANEDIOL, Nanobody, SULFATE ION
Authors:Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A.
Deposit date:2021-10-18
Release date:2022-07-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
8OM6
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BU of 8om6 by Molmil
Crystal structure of FGF2-STAB, a stable variant of human fibroblast growth factor 2
Descriptor: Fibroblast growth factor 2
Authors:Marek, M, Chaloupkova, R, de La Bourdonnaye, G.
Deposit date:2023-03-31
Release date:2024-03-06
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystal structure of FGF2-STAB, a stable variant of human fibroblast growth factor 2
To Be Published
5UK8
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BU of 5uk8 by Molmil
The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR
Descriptor: (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Mamo, M, Elling, R.A.
Deposit date:2017-01-20
Release date:2017-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
8P61
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BU of 8p61 by Molmil
Crystal structure of O'nyong'nyong virus capsid protease (106-256)
Descriptor: Capsid protein, GLYCEROL, SULFATE ION
Authors:Plewka, J, Chykunova, Y, Wilk, P, Sienczyk, M, Dubin, G, Pyrc, K.
Deposit date:2023-05-24
Release date:2024-03-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Autoinhibition of suicidal capsid protease from O'nyong'nyong virus.
Int.J.Biol.Macromol., 262, 2024
8W0M
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BU of 8w0m by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl Sulfamate AMP ester inhibitor
Descriptor: 5'-O-(acetylsulfamoyl)adenosine, Acetyl-coenzyme A synthetase 2
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl Sulfamate AMP ester inhibitor
To be published
5HWF
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BU of 5hwf by Molmil
The structural and biochemical characterization of acyl-coa hydrolase mutant Asn28Ala from Staphylococcus aureus.
Descriptor: Thioesterase
Authors:Khandokar, Y.B, Srivastava, P.S, Forwood, J.K.
Deposit date:2016-01-29
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus
To Be Published
8WD5
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BU of 8wd5 by Molmil
Crystal structure of farnesyl diphosphate synthase FPPS1 from silkworm, Bombyx mori
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL
Authors:Guo, P.C, Fang, H.
Deposit date:2023-09-14
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Substrate Binding of Farnesyl Diphosphate Synthase FPPS1 from Silkworm, Bombyx mori.
J.Agric.Food Chem., 72, 2024
8STL
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BU of 8stl by Molmil
Crystal Structure of Nanobody PIK3_Nb16 against wild-type PI3Kalpha
Descriptor: Nanobody PIK3_Nb16, SULFATE ION
Authors:Nwafor, J.N, Srinivasan, L, Chen, Z, Gabelli, S.B, Iheanacho, A, Alzogaray, V, Klinke, S.
Deposit date:2023-05-10
Release date:2024-05-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of isoform specific nanobodies for Class I PI3Ks
To be published
8STB
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BU of 8stb by Molmil
The structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX
Descriptor: CHLORIDE ION, GLYCEROL, Glyoxalase, ...
Authors:Luo, Z, Jia, X, Yan, X, Qu, X, Kobe, B.
Deposit date:2023-05-09
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The crystal structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX.
To Be Published
8OZ4
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BU of 8oz4 by Molmil
Populus tremula stable protein 1 with an alternate crystal lattice
Descriptor: Stable protein 1
Authors:Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N.
Deposit date:2023-05-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties
Small Science, 2024
7VHF
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BU of 7vhf by Molmil
Crystal structure of the STX2a complexed with RRA peptide
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRA peptide, ...
Authors:Senda, M, Takahashi, M, Nishikawa, K, Senda, T.
Deposit date:2021-09-22
Release date:2022-07-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
8P37
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BU of 8p37 by Molmil
Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
Descriptor: IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
Deposit date:2023-05-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
5ULF
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BU of 5ulf by Molmil
Crystal Structure of a UbcH5b~Ub conjugate
Descriptor: GLYCEROL, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2
Authors:Middleton, A.J, Day, C.L, Wright, J.D.
Deposit date:2017-01-24
Release date:2017-06-07
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of new non-covalent ubiquitin binding sites on UbcH5
To be published
7YM0
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BU of 7ym0 by Molmil
Lysoplasmalogen-specific phospholipase D (LyPls-PLD) with Ca2+
Descriptor: CALCIUM ION, Lysoplasmalogenase
Authors:Yasutake, Y, Sakasegawa, S, Sugimori, D, Murayama, K.
Deposit date:2022-07-27
Release date:2023-01-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
8W0L
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BU of 8w0l by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor and CoA
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor and CoA
To be published

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PDB entries from 2024-10-30

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