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8K2I
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BU of 8k2i by Molmil
Crystal structure of Group 2 Oligosaccharide/Monosaccharide-releasing beta-N-acetylhexosaminidase NgaAt from Arabidopsis thaliana in complex with GlcNAc-thiazoline
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sumida, T, Fushinobu, S.
Deposit date:2023-07-12
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
Deposit date:2022-06-13
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
8K57
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BU of 8k57 by Molmil
Crystal structure of sulfur transferase from Frondihabitans sp. PAMC28461 crystallized in the I21 space group
Descriptor: sulfur transferase
Authors:Nguyen, D.L, Do, H.
Deposit date:2023-07-21
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural and functional characterization of sulfurtransferase from Frondihabitans sp. PAMC28461.
Plos One, 19, 2024
7TVD
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BU of 7tvd by Molmil
Crystal structure of the kinase domain of EGFR exon-19 (del-747-749) mutant
Descriptor: Epidermal growth factor receptor
Authors:Ashtekar, K.D, Stayrook, S.E, Lemmon, M.A.
Deposit date:2022-02-04
Release date:2022-02-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Biochemical and structural basis for differential inhibitor sensitivity of EGFR with distinct exon 19 mutations.
Nat Commun, 13, 2022
8D1X
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BU of 8d1x by Molmil
Crystal Structure of aminopeptidase A from Neisseria gonorrhoeae
Descriptor: ACETATE ION, CHLORIDE ION, D(-)-TARTARIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-05-27
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of aminopeptidase A from Neisseria gonorrhoeae
to be published
8JRL
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BU of 8jrl by Molmil
Crystal structure of P450 TleB with an indole alkaloid
Descriptor: (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, J, Yan, W.P.
Deposit date:2023-06-17
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
8D0B
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BU of 8d0b by Molmil
Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template
Descriptor: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
Authors:He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C.
Deposit date:2022-05-26
Release date:2022-06-22
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structures of the human CST-Pol alpha-primase complex bound to telomere templates.
Nature, 608, 2022
8K3C
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BU of 8k3c by Molmil
Nipah virus Attachment glycoprotein with 41-6 antibody fragment
Descriptor: Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment
Authors:Sun, M.M.
Deposit date:2023-07-15
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Potent human neutralizing antibodies against Nipah virus derived from two ancestral antibody heavy chains.
Nat Commun, 15, 2024
8JJA
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BU of 8jja by Molmil
SP1746 in complex with acetate ions
Descriptor: ACETATE ION, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical)
Authors:Jin, Y, Niu, L, Ke, J.
Deposit date:2023-05-30
Release date:2024-05-08
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
8D0K
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BU of 8d0k by Molmil
Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template - PRIM2C advanced PIC
Descriptor: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
Authors:He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C.
Deposit date:2022-05-26
Release date:2022-06-22
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.27 Å)
Cite:Structures of the human CST-Pol alpha-primase complex bound to telomere templates.
Nature, 608, 2022
8K8T
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BU of 8k8t by Molmil
Structure of CUL3-RBX1-KLHL22 complex
Descriptor: Cullin-3, Kelch-like protein 22
Authors:Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
Deposit date:2023-07-31
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2017-10-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
7TF2
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BU of 7tf2 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-01-06
Release date:2022-03-30
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
7TF5
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BU of 7tf5 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-01-06
Release date:2022-03-30
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
5YLA
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BU of 5yla by Molmil
Crystal structure of a dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.67 A resolution
Descriptor: Peptidyl-tRNA hydrolase
Authors:Singh, P.K, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2017-10-17
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of a dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.67 A resolution
To Be Published
5YLH
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BU of 5ylh by Molmil
Structure of GH113 beta-1,4-mannanase
Descriptor: beta-1,4-mannanase
Authors:Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
Deposit date:2017-10-17
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus
J. Biol. Chem., 293, 2018
8JUU
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BU of 8juu by Molmil
rat megalin
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A.
Deposit date:2023-06-27
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7U6Z
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BU of 7u6z by Molmil
Pertussis toxin E129D NAD
Descriptor: IODIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pertussis toxin subunit 1
Authors:Littler, D.R, Beddoe, T, Pulliainen, A, Rossjohn, J.
Deposit date:2022-03-06
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.30002 Å)
Cite:Crystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity.
J.Biol.Chem., 298, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8D9O
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BU of 8d9o by Molmil
De Novo Photosynthetic Reaction Center Protein in Apo-State
Descriptor: CADMIUM ION, Reaction Center Maquette
Authors:Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C.
Deposit date:2022-06-10
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Li, X.
Deposit date:2017-09-23
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
8D07
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BU of 8d07 by Molmil
Hallucinated C3 protein assembly HALC3_109
Descriptor: HALC3_109
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8JUT
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BU of 8jut by Molmil
rat megalin RAP complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A.
Deposit date:2023-06-27
Release date:2024-06-19
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024

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