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6WQL
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BU of 6wql by Molmil
Solution structure of the seed peptide C2 (VBP-1) from pumpkin
Descriptor: Seed peptide C2 (VBP-1)
Authors:Payne, C.P, Rosengren, K.J.
Deposit date:2020-04-29
Release date:2020-10-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Defining the Familial Fold of the Vicilin-Buried Peptide Family.
J.Nat.Prod., 83, 2020
6WQJ
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BU of 6wqj by Molmil
Solution structure of vicilin-buried peptide-10 from cucumber
Descriptor: Vicilin-buried peptide-10
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2020-04-29
Release date:2020-10-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Defining the Familial Fold of the Vicilin-Buried Peptide Family.
J.Nat.Prod., 83, 2020
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
Descriptor: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
Authors:Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
Deposit date:2020-06-25
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
6O44
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BU of 6o44 by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Nattokinase, ...
Authors:Tang, H, Shi, K, Aihara, H.
Deposit date:2019-02-28
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis.
Biochem. Biophys. Res. Commun., 512, 2019
7OOM
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BU of 7oom by Molmil
N-terminal domain of FlSp spidroin from Nephila clavipes
Descriptor: Flagelliform spidroin variant 1
Authors:Tars, K, Metlans, R, Fridmanis, J, Jaudzems, K.
Deposit date:2021-05-28
Release date:2022-06-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
6XB9
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BU of 6xb9 by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid
Descriptor: 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ...
Authors:Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S.
Deposit date:2020-06-05
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
3F0G
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BU of 3f0g by Molmil
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with CMP
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
6EAC
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BU of 6eac by Molmil
Pseudomonas syringae SelO
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A.
Deposit date:2018-08-02
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.269 Å)
Cite:Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Cell, 175, 2018
8OYP
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BU of 8oyp by Molmil
Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic
Descriptor: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.
J.Biol.Chem., 299, 2023
6VCG
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BU of 6vcg by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form
Descriptor: CHLORIDE ION, COBALT (II) ION, SODIUM ION, ...
Authors:Daruwalla, A, Shi, W, Kiser, P.D.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PBT
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BU of 6pbt by Molmil
Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours
Descriptor: 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
Descriptor: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
6PBN
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BU of 6pbn by Molmil
Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ...
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
6B8U
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BU of 6b8u by Molmil
Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor
Descriptor: Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
Authors:Appleton, B.A, Murray, J, Shafer, C.M.
Deposit date:2017-10-09
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6VCF
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BU of 6vcf by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form
Descriptor: BICARBONATE ION, CHLORIDE ION, FE (II) ION, ...
Authors:Daruwalla, A, Shi, W, Kiser, P.D.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.687 Å)
Cite:Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VHS
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BU of 6vhs by Molmil
Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317
Descriptor: (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION
Authors:Sacco, M.D, Chen, Y.
Deposit date:2020-01-10
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
6PBM
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BU of 6pbm by Molmil
Pseudopaline Dehydrogenase with NADP+ bound
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2015-10-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6VQF
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BU of 6vqf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST
Descriptor: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Sack, J.S.
Deposit date:2020-02-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
6PAK
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BU of 6pak by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E
Authors:Tang, H, Shi, K, Aihara, H.
Deposit date:2019-06-11
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy.
J.Biol.Chem., 294, 2019
6PDX
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BU of 6pdx by Molmil
Crystal structure of C585 Fab in complex with influenza virus hemagglutinin from A/Switzerland/9715293/2013 (H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C585 Fab heavy chain, ...
Authors:Qiu, Y, Zhou, Y.
Deposit date:2019-06-19
Release date:2019-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.993 Å)
Cite:Mapping of a Novel H3-Specific Broadly Neutralizing Monoclonal Antibody Targeting the Hemagglutinin Globular Head Isolated from an Elite Influenza Virus-Immunized Donor Exhibiting Serological Breadth.
J.Virol., 94, 2020
6PBP
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BU of 6pbp by Molmil
Pseudopaline Dehydrogenase with (S)-Pseudopaline Soaked 1 hour
Descriptor: 1,2-ETHANEDIOL, N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
8A6O
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BU of 8a6o by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 600 fs after Photoexcitation
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-18
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6S
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BU of 8a6s by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 1 microsecond after Photoexcitation
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-19
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6N
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BU of 8a6n by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 300 fs after Photoexcitation
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-18
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023

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