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6DC4
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BU of 6dc4 by Molmil
RSV-neutralizing human antibody AM22
Descriptor: 1,2-ETHANEDIOL, Fab AM22 Heavy Chain, Fab AM22 Light Chain
Authors:Jones, H.G, McLellan, J.S.
Deposit date:2018-05-04
Release date:2019-07-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
7PED
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BU of 7ped by Molmil
DEPTOR DEP domain tandem (DEPt)
Descriptor: DEP domain-containing mTOR-interacting protein
Authors:Waelchli, M, Jakob, R, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
6DDA
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BU of 6dda by Molmil
Nurr1 Covalently Modified by a Dopamine Metabolite
Descriptor: 5-hydroxy-1,2-dihydro-6H-indol-6-one, BROMIDE ION, Nuclear receptor subfamily 4 group A member 2, ...
Authors:Bruning, J.M, Wang, Y, Otrabella, F, Boxue, T, Liu, H, Bhattacharya, P, Guo, S, Holton, J.M, Fletterick, R.J, Jacobson, M.P, England, P.M.
Deposit date:2018-05-09
Release date:2019-03-20
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Cell Chem Biol, 26, 2019
6DO1
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BU of 6do1 by Molmil
Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-like peptide S1I8, ...
Authors:Wingler, L.M, McMahon, C, Staus, D.P, Lefkowitz, R.J, Kruse, A.C.
Deposit date:2018-06-08
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Distinctive Activation Mechanism for Angiotensin Receptor Revealed by a Synthetic Nanobody.
Cell, 176, 2019
7PNJ
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BU of 7pnj by Molmil
Human Angiogenin quardruple mutant-S28AT36AS37AS87A
Descriptor: Angiogenin, CITRIC ACID
Authors:Papaioannou, O.S.E, Leonidas, D.D.
Deposit date:2021-09-07
Release date:2021-09-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 62, 2023
6DOK
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BU of 6dok by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 25 mM K+ for 120 s at 21 C (dataset 1)
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DOY
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BU of 6doy by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM Li+ for 120 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7POR
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BU of 7por by Molmil
PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl)piperazin-1-yl]methyl}phenyl)pyridin-4-yl]-2-methoxy-5-(morpholin-4-yl)pyridine-3-sulfonamide
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
Authors:Rowland, P, Convery, M.
Deposit date:2021-09-09
Release date:2021-09-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
7PI4
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BU of 7pi4 by Molmil
FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB
Descriptor: (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Chung, C.
Deposit date:2021-08-19
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
6DPC
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BU of 6dpc by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 12 mM Mn2+ and 200 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7POS
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BU of 7pos by Molmil
PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide
Descriptor: 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Rowland, P, Convery, M.
Deposit date:2021-09-09
Release date:2021-09-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
7PNR
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BU of 7pnr by Molmil
Human Angiogenin mutant-S28AT36AS37A
Descriptor: Angiogenin
Authors:Papaioannou, O.S.E, Leonidas, D.D.
Deposit date:2021-09-07
Release date:2021-09-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 62, 2023
7PHX
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BU of 7phx by Molmil
Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ...
Authors:Pereira, P.J.B, Ripoll-Rozada, J, Calisto, B.M.
Deposit date:2021-08-18
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues.
Chem.Commun.(Camb.), 57, 2021
6DEX
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BU of 6dex by Molmil
Structure of Eremothecium gossypii Shu1:Shu2 complex
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MAGNESIUM ION, Suppressor of hydroxyurea sensitivity protein 1, ...
Authors:Singh, N, Corbett, K.D.
Deposit date:2018-05-13
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Eremothecium gossypii Shu1:Shu2 complex
To Be Published
6DQT
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BU of 6dqt by Molmil
Crystal structure of Haemophilus influenzae OppA complex with LGG
Descriptor: ACETATE ION, LEU-GLY-GLY, Periplasmic oligopeptide-binding protein, ...
Authors:Tanaka, K.J, Pinkett, H.W.
Deposit date:2018-06-11
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
7PD9
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BU of 7pd9 by Molmil
Crystal structure of CD73 in complex with riboflavin in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-04
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
6DFI
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BU of 6dfi by Molmil
Crystal structure of anti-Zika antibody Z021 bound to Zika virus envelope protein DIII
Descriptor: Zika virus envelope protein DIII, anti-Zika antibody Z021, Heavy Chain, ...
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2018-05-14
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A Combination of Two Human Monoclonal Antibodies Prevents Zika Virus Escape Mutations in Non-human Primates.
Cell Rep, 25, 2018
7PPS
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BU of 7pps by Molmil
apo FabB from Pseudomonas aeruginosa with single point mutation C161A
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ...
Authors:Georgiou, C, Brenk, R, Yadrykhinsky, V.
Deposit date:2021-09-15
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of Pseudomonas aeruginosa FabB C161A, a template for structure-based design for new antibiotics.
F1000Res, 10, 2021
6DR4
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BU of 6dr4 by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31V point mutation
Descriptor: HEXANE-1,6-DIOL, ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-VAL-ILE-GLY-LEU-ORN-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-06-11
Release date:2018-10-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta.
J. Am. Chem. Soc., 140, 2018
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
Descriptor: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PMU
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BU of 7pmu by Molmil
Crystal structure of native Iripin-8
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ...
Authors:Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A.
Deposit date:2021-09-02
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement.
Int J Mol Sci, 22, 2021
6DJW
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BU of 6djw by Molmil
Crystal Structure of pParkin (REP and RING2 deleted)-pUb-UbcH7 complex
Descriptor: RBR-type E3 ubiquitin transferase,RBR-type E3 ubiquitin transferase, Ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ...
Authors:Sauve, V, Sung, G, Trempe, J.F, Gehring, K.
Deposit date:2018-05-26
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.801 Å)
Cite:Mechanism of parkin activation by phosphorylation.
Nat. Struct. Mol. Biol., 25, 2018
6DKK
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BU of 6dkk by Molmil
Structure of BoNT
Descriptor: Botulinum neurotoxin type A, PHOSPHATE ION
Authors:Lam, K, Jin, R.
Deposit date:2018-05-29
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
6DKV
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BU of 6dkv by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 21 round 5
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, DI(HYDROXYETHYL)ETHER, Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-05-30
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6DL0
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BU of 6dl0 by Molmil
Crystal structure of pohlianin C, an orbitide from Jatropha pohliana
Descriptor: pohlianin C
Authors:Wang, C.K, King, G.J, Ramalho, S.D.
Deposit date:2018-05-31
Release date:2018-11-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018

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