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6W38
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BU of 6w38 by Molmil
Crystal structure of the FAM46C/Plk4 complex
Descriptor: Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
Authors:Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
Deposit date:2020-03-09
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.48 Å)
Cite:Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8BXZ
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BU of 8bxz by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with penta-mannuronic acid
Descriptor: Alginate lyase, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Wilkens, C.
Deposit date:2022-12-11
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with penta-mannuronic acid
To Be Published
4WQD
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BU of 4wqd by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208G mutant
Descriptor: 1,2-ETHANEDIOL, GUANIDINE, HEME C, ...
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:2015-04-15
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
5LYT
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BU of 5lyt by Molmil
COMPARISON OF RADIATION-INDUCED DECAY AND STRUCTURE REFINEMENT FROM X-RAY DATA COLLECTED FROM LYSOZYME CRYSTALS AT LOW AND AMBIENT TEMPERATURES
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Dewan, J.C, Young, A.C.M, Tilton, R.F.
Deposit date:1992-03-20
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of Radiation-Induced Decay and Structure Refinement from X-Ray Data Collected from Lysozyme Crystals at Low and Ambient Temperatures
J.Appl.Crystallogr., 26, 1993
6NVK
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BU of 6nvk by Molmil
FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
8JZ8
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BU of 8jz8 by Molmil
Subatomic structure of orthorhombic thaumatin at 0.89 Angstroms
Descriptor: DI(HYDROXYETHYL)ETHER, Thaumatin I
Authors:Masuda, T, Suzuki, M, Yamasaki, M, Mikami, B.
Deposit date:2023-07-04
Release date:2024-05-15
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Subatomic structure of orthorhombic thaumatin at 0.89 angstrom reveals that highly flexible conformations are crucial for thaumatin sweetness.
Biochem.Biophys.Res.Commun., 703, 2024
8K06
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BU of 8k06 by Molmil
Pseudouridine 5'-monophosphate glycosylase from Arabidopsis thaliana -- PSU, R5P bound K185A mutant
Descriptor: 5-O-phosphono-beta-D-ribofuranose, MANGANESE (II) ION, PSEUDOURIDINE-5'-MONOPHOSPHATE, ...
Authors:Lee, J.Y, Kim, S.H, Rhee, S.K.
Deposit date:2023-07-07
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Structure and function of the pseudouridine 5'-monophosphate glycosylase PUMY from Arabidopsis thaliana.
Rna Biol., 21, 2024
7UWT
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BU of 7uwt by Molmil
Structure of Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB_Vv F70A/F108Y (NTR 2.0) in complex with FMN at 1.85 Angstroms resolution
Descriptor: ACETATE ION, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE, ...
Authors:Sharrock, A.V, Arcus, V, Mumm, J.S, Ackerley, D.F.
Deposit date:2022-05-03
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of Engineered Nitroreductase NTR 2.0 and Impact of F70A and F108Y Substitutions on Substrate Specificity.
Int J Mol Sci, 24, 2023
8FVY
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BU of 8fvy by Molmil
40S subunit of the Giardia lamblia 80S ribosome
Descriptor: 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ...
Authors:Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S.
Deposit date:2023-01-20
Release date:2024-01-24
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
8LYZ
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BU of 8lyz by Molmil
AN X-RAY STUDY OF THE STRUCTURE AND BINDING PROPERTIES OF IODINE-INACTIVATED LYSOZYME
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Beddell, C.R, Blake, C.C.F, Oatley, S.J.
Deposit date:1977-09-16
Release date:1977-10-24
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An x-ray study of the structure and binding properties of iodine-inactivated lysozyme.
J.Mol.Biol., 97, 1975
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
Descriptor: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
Authors:Appleby, T.C, Taylor, J.G.
Deposit date:2019-02-14
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
3BV4
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BU of 3bv4 by Molmil
Crystal structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A, SULFATE ION
Authors:Sherawat, M, Tolan, D.R, Allen, K.N.
Deposit date:2008-01-04
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant.
Acta Crystallogr.,Sect.D, 64, 2008
5KMG
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BU of 5kmg by Molmil
Near-atomic cryo-EM structure of PRC1 bound to the microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kellogg, E.H, Howes, S, Ti, S.-C, Ramirez-Aportela, E, Kapoor, T.M, Chacon, P, Nogales, E.
Deposit date:2016-06-27
Release date:2016-08-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic cryo-EM structure of PRC1 bound to the microtubule.
Proc.Natl.Acad.Sci.USA, 113, 2016
8FDX
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BU of 8fdx by Molmil
AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
Authors:Nyman, M.C, Wong-Roushar, J, Dann III, C.E.
Deposit date:2022-12-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
7UQN
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BU of 7uqn by Molmil
Pathogenesis related 10-10 noscapine complex
Descriptor: Pathogenesis Related 10-10 protein, noscapine
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2022-04-19
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
5KTX
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BU of 5ktx by Molmil
CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
Descriptor: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ...
Authors:Murray, J.M, Noland, C.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
4ZOB
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BU of 4zob by Molmil
Crystal Structure of beta-glucosidase from Listeria innocua in complex with gluconolactone
Descriptor: D-glucono-1,5-lactone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H.
Deposit date:2015-05-06
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016
2YND
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BU of 2ynd by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyrazole sulphonamide inhibitor.
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
Authors:Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W.
Deposit date:2012-10-13
Release date:2014-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014
8OTR
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BU of 8otr by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM analog BDH 33959089
Descriptor: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D.
Deposit date:2023-04-21
Release date:2023-05-24
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
6W3J
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BU of 6w3j by Molmil
Crystal structure of the FAM46C/Plk4/Cep192 complex
Descriptor: Centrosomal protein of 192 kDa, Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
Authors:Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
Deposit date:2020-03-09
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.385 Å)
Cite:Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
6VWC
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BU of 6vwc by Molmil
Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors
Descriptor: 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1
Authors:Judge, R.A, Judd, A.S.
Deposit date:2020-02-19
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor.
Acs Med.Chem.Lett., 11, 2020
8PAJ
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BU of 8paj by Molmil
Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
5T7P
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BU of 5t7p by Molmil
Crystal structure of Pisum arvense lectin (PAL) complexed with X-Man
Descriptor: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin, ...
Authors:Pinto-Junior, V.R, Santiago, M.Q, Osterne, V.J.S, Silva-Filho, J.C, Rocha, B.A.M, Delatorre, P, Nascimento, K.S, Cavada, B.S.
Deposit date:2016-09-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Pisum arvense seed lectin (PAL) and characterization of its interaction with carbohydrates by molecular docking and dynamics.
Arch. Biochem. Biophys., 630, 2017
6WB4
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BU of 6wb4 by Molmil
Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2021-12-15
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021

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