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4UFA
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BU of 4ufa by Molmil
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ...
Authors:Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R.
Deposit date:2015-03-16
Release date:2015-10-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
4ULL
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BU of 4ull by Molmil
SOLUTION NMR STRUCTURE OF VEROTOXIN-1 B-SUBUNIT FROM E. COLI, 5 STRUCTURES
Descriptor: Shiga toxin 1B
Authors:Richardson, J.M, Evans, P.D, Homans, S.W, Donohue-Rolfe, A.
Deposit date:1996-12-17
Release date:1997-04-01
Last modified:2019-12-11
Method:SOLUTION NMR
Cite:Solution structure of the carbohydrate-binding B-subunit homopentamer of verotoxin VT-1 from E. coli.
Nat.Struct.Biol., 4, 1997
4UI2
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BU of 4ui2 by Molmil
Crystal structure of the ternary RGMB-BMP2-NEO1 complex
Descriptor: ACETATE ION, BONE MORPHOGENETIC PROTEIN 2, BMP2, ...
Authors:Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
Deposit date:2015-03-27
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCS
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BU of 4ucs by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
Authors:Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
Deposit date:2015-03-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
4UTQ
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BU of 4utq by Molmil
A structural model of the active ribosome-bound membrane protein insertase YidC
Descriptor: ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC
Authors:Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R.
Deposit date:2014-07-22
Release date:2014-07-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8 Å)
Cite:A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc.
Elife, 3, 2014
4USC
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BU of 4usc by Molmil
Crystal structure of peroxidase from palm tree Chamaerops excelsa
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I.
Deposit date:2014-07-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
8FU6
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BU of 8fu6 by Molmil
GCGR-Gs complex in the presence of RAMP2
Descriptor: Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Krishna Kumar, K, O'Brien, E.S, Wang, H, Montabana, E, Kobilka, B.K.
Deposit date:2023-01-16
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Negative allosteric modulation of the glucagon receptor by RAMP2.
Cell, 186, 2023
4UZA
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BU of 4uza by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VIII - PHOSPHATE COMPLEX - 2.4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, PROTEIN NOTUM HOMOLOG
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-04
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
8FAZ
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BU of 8faz by Molmil
Cryo-EM structure of the human BCDX2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ...
Authors:Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K.
Deposit date:2022-11-29
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
8FJT
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BU of 8fjt by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor
Descriptor: GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2022-12-20
Release date:2023-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8FJU
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BU of 8fju by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2022-12-20
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8G1T
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BU of 8g1t by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
Deposit date:2023-02-02
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
7PSX
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BU of 7psx by Molmil
Structure of HOXB13 bound to hydroxymethylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ...
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2021-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of HOXB13 bound to hydroxymethylated DNA
To Be Published
7Q4N
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BU of 7q4n by Molmil
transcription factor CDX2 bound to hydroxymethylated DNA
Descriptor: DNA (18-MER), Homeobox protein CDX-2
Authors:Morgunova, E, Yin, Y, Popov, A, Taipale, J.
Deposit date:2021-11-01
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:transcription factor CDX2 bound to hydroxymethylated DNA
To Be Published
8G9O
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BU of 8g9o by Molmil
Complete DNA elongation subcomplex of Xenopus laevis DNA polymerase alpha-primase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA primase large subunit, ...
Authors:Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F.
Deposit date:2023-02-21
Release date:2023-04-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8G99
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BU of 8g99 by Molmil
Partial auto-inhibitory complex of Xenopus laevis DNA polymerase alpha-primase
Descriptor: DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase large subunit, ...
Authors:Mullins, E.A, Chazin, W.J, Eichman, B.F.
Deposit date:2023-02-21
Release date:2023-04-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8G9F
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BU of 8g9f by Molmil
Complete auto-inhibitory complex of Xenopus laevis DNA polymerase alpha-primase
Descriptor: DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase, ...
Authors:Mullins, E.A, Chazin, W.J, Eichman, B.F.
Deposit date:2023-02-21
Release date:2023-04-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8G9L
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BU of 8g9l by Molmil
DNA initiation subcomplex of Xenopus laevis DNA polymerase alpha-primase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA primase large subunit, ...
Authors:Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F.
Deposit date:2023-02-21
Release date:2023-04-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8G9N
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BU of 8g9n by Molmil
Partial DNA elongation subcomplex of Xenopus laevis DNA polymerase alpha-primase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA template, ...
Authors:Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F.
Deposit date:2023-02-21
Release date:2023-04-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8GBJ
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BU of 8gbj by Molmil
Cryo-EM structure of a human BCDX2/ssDNA complex
Descriptor: DNA (5'-D(P*CP*CP*CP*CP*CP*C)-3'), DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ...
Authors:Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K.
Deposit date:2023-02-26
Release date:2023-06-21
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
8GK3
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BU of 8gk3 by Molmil
Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate
Descriptor: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE
Authors:Liu, J, Scott, E.E.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate.
J.Biol.Chem., 299, 2023
8B4H
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BU of 8b4h by Molmil
IstA transposase cleaved donor complex
Descriptor: DNA (55-MER) / right IS21 transposon end (insertion sequence IS5376), DNA (57-MER) / right IS21 transposon end (insertion sequence IS5376), MAGNESIUM ION, ...
Authors:Spinola-Amilibia, M, de la Gandara, A, Araujo-Bazan, L, Berger, J.M, Arias-Palomo, E.
Deposit date:2022-09-20
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:IS21 family transposase cleaved donor complex traps two right-handed superhelical crossings.
Nat Commun, 14, 2023
4X4E
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BU of 4x4e by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 14.4 MGy
Descriptor: 35-MER DNA, Regulatory protein
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F.
Deposit date:2014-12-02
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015

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