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2UYI
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BU of 2uyi by Molmil
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33
Descriptor: (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Lee, T.T.
Deposit date:2007-04-07
Release date:2007-05-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
4W7E
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BU of 4w7e by Molmil
Crystal Structure of Full-Length Split GFP Mutant E124H/K126H With Copper Mediated Crystal Contacts, P 41 21 2 Space Group
Descriptor: COPPER (II) ION, IMIDAZOLE, fluorescent protein D21H/K26H
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-21
Release date:2015-02-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W7G
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BU of 4w7g by Molmil
Crystal Structure of the Dynein Light Intermediate Chain's Conserved Domain
Descriptor: Dynein Light Intermediate Chain
Authors:Schroeder, C.M, Ekiert, D.C, Vale, R.D.
Deposit date:2014-08-22
Release date:2014-10-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Ras-like domain in the light intermediate chain bridges the dynein motor to a cargo-binding region.
Elife, 3, 2014
8H34
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BU of 8h34 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 hexameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.99 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
2UZW
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BU of 2uzw by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2V03
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BU of 2v03 by Molmil
High resolution structure and catalysis of an O-acetylserine sulfhydrylase
Descriptor: CITRIC ACID, Cysteine synthase B, GLYCEROL, ...
Authors:Zocher, G, Wiesand, U, Schulz, G.E.
Deposit date:2007-05-08
Release date:2007-10-09
Last modified:2018-07-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High resolution structure and catalysis of O-acetylserine sulfhydrylase isozyme B from Escherichia coli.
FEBS J., 274, 2007
8H82
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BU of 8h82 by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-10-21
Release date:2023-10-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
4WHB
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BU of 4whb by Molmil
Crystal structure of phenylurea hydrolase B
Descriptor: Phenylurea hydrolase B, ZINC ION
Authors:Sugrue, E, Carr, P.D, Khurana, J.L, Jackson, C.J.
Deposit date:2014-09-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.958 Å)
Cite:Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
8H3R
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BU of 8h3r by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8 dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-09
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.36 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
4WIB
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BU of 4wib by Molmil
Crystal structure of Magnesium transporter MgtE
Descriptor: CALCIUM ION, Magnesium transporter MgtE
Authors:Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
Deposit date:2014-09-25
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
2UXD
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BU of 2uxd by Molmil
Crystal structure of an extended tRNA anticodon stem loop in complex with its cognate mRNA CGGG in the context of the Thermus thermophilus 30S subunit.
Descriptor: 16S RIBOSOMAL RNA, A-SITE MESSENGER RNA FRAGMENT CGGG, ANTICODON STEM-LOOP OF TRANSFER RNA WITH ANTICODON CCCG, ...
Authors:Dunham, C.M, Selmer, M, Phelps, S.S, Kelley, A.C, Suzuki, T, Joseph, S, Ramakrishnan, V.
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of Trnas with an Expanded Anticodon Loop in the Decoding Center of the 30S Ribosomal Subunit.
RNA, 13, 2007
8H38
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BU of 8h38 by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8-CSN(mutate) complex
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
4WIH
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BU of 4wih by Molmil
Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus
Descriptor: cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H.
Deposit date:2014-09-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
2V0W
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BU of 2v0w by Molmil
N- and C-terminal helices of oat LOV2 (404-546) are involved in light- induced signal transduction (cryo-trapped light structure of LOV2 (404-546))
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, NPH1-1
Authors:Halavaty, A.S, Moffat, K.
Deposit date:2007-05-20
Release date:2007-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:N- and C-Terminal Flanking Regions Modulate Light-Induced Signal Transduction in the Lov2 Domain of the Blue Light Sensor Phototropin 1 from Avena Sativa.
Biochemistry, 46, 2007
2VAF
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BU of 2vaf by Molmil
Crystal structure of Human Cardiac Calsequestrin
Descriptor: CALSEQUESTRIN-2
Authors:Kim, E, Youn, B, Kemper, L, Campbell, C, Milting, H, Varsanyi, M, Kang, C.
Deposit date:2007-08-31
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Characterization of Human Cardiac Calsequestrin and its Deleterious Mutants.
J.Mol.Biol., 373, 2007
8H53
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BU of 8h53 by Molmil
Human asparaginyl-tRNA synthetase in complex with asparagine-AMP
Descriptor: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparagine--tRNA ligase, cytoplasmic, ...
Authors:Park, J.S, Han, B.W.
Deposit date:2022-10-12
Release date:2023-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
8H58
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BU of 8h58 by Molmil
Crystal structure of YhaJ effector binding domain
Descriptor: HTH-type transcriptional regulator YhaJ, SODIUM ION
Authors:Kim, M, Ryu, S.E.
Deposit date:2022-10-12
Release date:2023-10-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.639 Å)
Cite:Structural basis of transcription factor YhaJ for DNT detection.
Iscience, 26, 2023
2VBE
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BU of 2vbe by Molmil
Tailspike protein of bacteriophage Sf6
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Barbirz, S, Mueller, J.J, Freiberg, A, Heinemann, U, Seckler, R.
Deposit date:2007-09-12
Release date:2008-04-22
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An intersubunit active site between supercoiled parallel beta helices in the trimeric tailspike endorhamnosidase of Shigella flexneri Phage Sf6.
Structure, 16, 2008
4WIZ
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BU of 4wiz by Molmil
Crystal structure of Grouper nervous necrosis virus-like particle at 3.6A
Descriptor: CALCIUM ION, Coat protein
Authors:Chen, N.C, Chen, C.J, Yoshimura, M, Guan, H.H, Chen, T.Y.
Deposit date:2014-09-28
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal Structures of a Piscine Betanodavirus: Mechanisms of Capsid Assembly and Viral Infection
Plos Pathog., 11, 2015
7ZWN
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BU of 7zwn by Molmil
Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
8H75
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BU of 8h75 by Molmil
FGFR2 in complex with YJ001
Descriptor: CHLORIDE ION, Fibroblast growth factor receptor 2, Tinengotinib
Authors:Yan, X.E, Yun, C.H.
Deposit date:2022-10-19
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:FGFR2 in complex with YJ001
To Be Published
4WQB
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BU of 4wqb by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - bisulfite soak
Descriptor: DI(HYDROXYETHYL)ETHER, HEME C, IODIDE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5013 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
2VC0
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BU of 2vc0 by Molmil
Feast or famine regulatory protein (Rv3291c)from M. tuberculosis complexed with L-Leucine
Descriptor: LEUCINE, TRANSCRIPTIONAL REGULATORY PROTEIN
Authors:Shrivastava, T, Ramachandran, R.
Deposit date:2007-09-18
Release date:2007-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insights from the crystal structures of a feast/famine regulatory protein from Mycobacterium tuberculosis H37Rv.
Nucleic Acids Res., 35, 2007
2V83
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BU of 2v83 by Molmil
Crystal structure of RAG2-PHD finger in complex with H3K4me3 peptide
Descriptor: HISTONE H3, VDJ RECOMBINATION-ACTIVATING PROTEIN 2, ZINC ION
Authors:Ramon-Maiques, S, Yang, W.
Deposit date:2007-08-02
Release date:2007-12-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Plant Homeodomain Finger of Rag2 Recognizes Histone H3 Methylated at Both Lysine-4 and Arginine-2.
Proc.Natl.Acad.Sci.USA, 104, 2007
8H7Q
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BU of 8h7q by Molmil
Cryo-EM structure of Synechocystis sp. PCC6714 Cascade at 3.8 angstrom resolution
Descriptor: CRISPR RNA, CRISPR associated protein Cas11b, CRISPR associated protein Cas5, ...
Authors:Xiao, Y, Lu, M, Yu, C, Zhang, Y.
Deposit date:2022-10-20
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of Synechocystis sp. PCC6714 Cascade at 3.8 angstrom resolution
To Be Published

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