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6YEA
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BU of 6yea by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP
Descriptor: 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YHG
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BU of 6yhg by Molmil
Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a)
Descriptor: 1-(3-methoxyphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANINE, ...
Authors:Sandner, A, Heine, A, Klebe, G, Collins, C.
Deposit date:2020-03-29
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a)
To be published
6YHJ
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BU of 6yhj by Molmil
Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e)
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sandner, A, Heine, A, Klebe, G, Collins, C.
Deposit date:2020-03-30
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e)
To be published
7TMU
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BU of 7tmu by Molmil
Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-01-20
Release date:2022-02-02
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis
To Be Published
6YPP
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BU of 6ypp by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with PKI (5-24). Soaking of aminofasudil and displacing it with the fragment isoquinoline.
Descriptor: ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorescence-based displacement experiments
To Be Published
2IJ3
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BU of 2ij3 by Molmil
Structure of the A264H mutant of cytochrome P450 BM3
Descriptor: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Toogood, H.S, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
7TIC
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BU of 7tic by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-13
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7TI8
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BU of 7ti8 by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-13
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7TIB
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BU of 7tib by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA) and primer-template DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*AP*GP*AP*CP*AP*CP*TP*AP*CP*GP*AP*GP*TP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*AP*TP*GP*TP*AP*CP*TP*CP*GP*TP*AP*GP*TP*GP*TP*CP*T)-3'), ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-13
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7TKU
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BU of 7tku by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-17
Release date:2022-02-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7THV
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BU of 7thv by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-12
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7TID
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BU of 7tid by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) and primer-template DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*AP*GP*AP*CP*AP*CP*TP*AP*CP*GP*AP*GP*TP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*AP*TP*GP*TP*AP*CP*TP*CP*GP*TP*AP*GP*TP*GP*TP*CP*T)-3'), ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-13
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7THJ
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BU of 7thj by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-11
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7ON1
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BU of 7on1 by Molmil
Cenp-A nucleosome in complex with Cenp-C
Descriptor: BJ4_G0006610.mRNA.1.CDS.1, BJ4_G0007000.mRNA.1.CDS.1, DNA (123-MER), ...
Authors:Yan, K, Yang, J, Zhang, Z, Barford, D.
Deposit date:2021-05-25
Release date:2021-07-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Cenp-A nucleosome in complex with Cenp-C
To Be Published
6YN1
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BU of 6yn1 by Molmil
Crystal structure of histone chaperone APLF acidic domain bound to the histone H2A-H2B-H3-H4 octamer
Descriptor: Aprataxin and PNK-like factor, CHLORIDE ION, GLYCEROL, ...
Authors:Corbeski, I, Guo, X, Van Ingen, H, Sixma, T.K.
Deposit date:2020-04-10
Release date:2021-11-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chaperoning of the histone octamer by the acidic domain of DNA repair factor APLF.
Sci Adv, 8, 2022
6Z7X
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BU of 6z7x by Molmil
Insulin analytical antibody OXI-005 Fab
Descriptor: OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
Authors:Johansson, E.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7Y
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BU of 6z7y by Molmil
Human insulin in complex with the analytical antibody OXI-005 Fab
Descriptor: Insulin, OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
Authors:Johansson, E.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
7NWL
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BU of 7nwl by Molmil
Cryo-EM structure of human integrin alpha5beta1 (open form) in complex with fibronectin and TS2/16 Fv-clasp
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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, Integrin alpha-5, ...
Authors:Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N.
Deposit date:2021-03-17
Release date:2021-06-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand.
Sci Adv, 7, 2021
6YXU
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BU of 6yxu by Molmil
Structure of Mycobacterium smegmatis HelD protein in complex with RNA polymerase core - State I, primary channel engaged
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Kouba, T, Koval, T, Krasny, L, Dohnalek, J.
Deposit date:2020-05-03
Release date:2020-11-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Mycobacterial HelD is a nucleic acids-clearing factor for RNA polymerase.
Nat Commun, 11, 2020
6YU5
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BU of 6yu5 by Molmil
Crystal structure of MhsT in complex with L-valine
Descriptor: DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ...
Authors:Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
Deposit date:2020-04-25
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6Z3J
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BU of 6z3j by Molmil
Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 1)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
7STZ
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BU of 7stz by Molmil
Crystal Structure of Human E-cadherin EC1-5 bound by mouse monoclonal antibody Fab mAb-1_19A11
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-11-15
Release date:2022-01-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Regulation of multiple dimeric states of E-cadherin by adhesion activating antibodies revealed through Cryo-EM and X-ray crystallography.
Pnas Nexus, 1, 2022
2JJ2
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BU of 2jj2 by Molmil
The Structure of F1-ATPase inhibited by quercetin.
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE GAMMA CHAIN, ...
Authors:Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2007-07-03
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Proc.Natl.Acad.Sci.USA, 104, 2007
6Z9B
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BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N, Scaletti, E.
Deposit date:2020-06-03
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
6ZHE
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BU of 6zhe by Molmil
Cryo-EM structure of DNA-PK dimer
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-23
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.24 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021

223790

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