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PDB: 53012 results

5KWZ
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BU of 5kwz by Molmil
NMR Solution Structure of Designed Peptide NC_cHH_D1
Descriptor: Designed peptide NC_cHH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
7RAZ
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BU of 7raz by Molmil
Small conductance mechanosensitive channel MscS
Descriptor: PHOSPHATIDYLETHANOLAMINE, Small-conductance mechanosensitive channel
Authors:Catalano, C, Ben-Hail, D, Qiu, W, des Georges, A, Guo, Y.
Deposit date:2021-07-05
Release date:2022-07-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Small conductance mechanosensitive channel MscS
To Be Published
6UNN
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BU of 6unn by Molmil
The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
Descriptor: (E)-3-(4-methoxyphenyl)acrylic acid, CHLORIDE ION, CYP199A4, ...
Authors:Doherty, Z.D, Bell, S.G, Bruning, J.
Deposit date:2019-10-13
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
To Be Published
5KZT
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BU of 5kzt by Molmil
Listeria monocytogenes OppA bound to peptide
Descriptor: Hexamer peptide: SER-ASP-GLU-SER-LYS-GLY, Hexamer peptide: SER-ASP-GLU-SER-SER-GLY, Peptide/nickel transport system substrate-binding protein
Authors:Light, S.H, Whiteley, A.T, Minasov, G, Portnoy, D.A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-25
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Listeria monocytogenes OppA bound to peptide
To Be Published
5AZ7
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BU of 5az7 by Molmil
Crystal structure of MBP-Tom20 fusion protein with a 4-residue spacer in the connector helix
Descriptor: Maltose-binding periplasmic protein,Mitochondrial import receptor subunit TOM20 homolog, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Matsuoka, R, Kohda, D.
Deposit date:2015-09-27
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Rational design of crystal contact-free space in protein crystals for analyzing spatial distribution of motions within protein molecules.
Protein Sci., 25, 2016
6TXW
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BU of 6txw by Molmil
V30G Transthyretin structure in complex with Tolcalpone
Descriptor: Tolcapone, Transthyretin
Authors:Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S.
Deposit date:2020-01-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.153 Å)
Cite:Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
6QNA
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BU of 6qna by Molmil
Structure of bovine anti-RSV hybrid Fab B13HC-B4LC
Descriptor: B13 Heavy chain, B4 light chain, GLYCEROL
Authors:Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
7R6R
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BU of 7r6r by Molmil
Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex
Descriptor: DNA (5'-D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)-3'), Immunity repressor
Authors:McGinnis, R.J, Brambley, C.A, Stamey, B, Green, W.C, Gragg, K.N, Cafferty, E.R, Terwilliger, T.C, Hammel, M, Hollis, T.J, Miller, J.M, Gainey, M.D, Wallen, J.R.
Deposit date:2021-06-23
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence.
Nat Commun, 13, 2022
6ES0
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BU of 6es0 by Molmil
Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35
Descriptor: 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2
Authors:Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N.
Deposit date:2017-10-19
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5IGH
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BU of 5igh by Molmil
Macrolide 2'-phosphotransferase type I
Descriptor: Macrolide 2'-phosphotransferase, SULFATE ION
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
6EBG
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BU of 6ebg by Molmil
Ohr (Organic Hydroperoxide Resistance protein) mutant - C60S interacting with dihydrolipoamide
Descriptor: (6S)-6,8-disulfanyloctanamide, Organic hydroperoxide resistance protein
Authors:Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S.
Deposit date:2018-08-06
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020
5IGV
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BU of 5igv by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and azithromycin
Descriptor: AZITHROMYCIN, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
6ECD
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BU of 6ecd by Molmil
Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a tetradepsipeptide
Descriptor: Vlm2, tetradepsipeptide
Authors:Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M.
Deposit date:2018-08-07
Release date:2018-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
8EBM
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BU of 8ebm by Molmil
Structure of KLHDC2 substrate binding domain bound to KLHDC2's C-degron mimic
Descriptor: ASN-GLN-ARG-PHE-GLY-SER-ASN-ASN-THR-SER-GLY-SER, Kelch domain-containing protein 2
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
6U1Z
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BU of 6u1z by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-18
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5005 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
7UHB
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BU of 7uhb by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-03-26
Release date:2022-06-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
5IH1
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BU of 5ih1 by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and phosphorylated josamycin
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
6EE7
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BU of 6ee7 by Molmil
Small tetraheme cytochrome c from Shewanella oneidensis
Descriptor: HEME C, Periplasmic tetraheme cytochrome c CctA, ZINC ION
Authors:Huang, J, Zarzycki, J, Ducat, D.C, Kramer, D.M.
Deposit date:2018-08-13
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Mesoscopic to Macroscopic Electron Transfer by Hopping in a Crystal Network of Cytochromes.
J.Am.Chem.Soc., 142, 2020
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
8SFA
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BU of 8sfa by Molmil
Crystal structure of the engineered SsoPox variant IIIC1
Descriptor: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION
Authors:Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
Deposit date:2023-04-10
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
7V6Z
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BU of 7v6z by Molmil
Cryo-EM structure of Patched1 (V1084A mutant) in lipid nanodisc, 3.64 angstrom (reprocessed with the dataset of 7dzp)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Luo, Y, Zhao, Y, Qu, Q, Li, D.
Deposit date:2021-08-20
Release date:2021-09-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
8GMK
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BU of 8gmk by Molmil
Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ...
Authors:Pathirage, R, Ronning, D, Yamsek, M.
Deposit date:2023-03-26
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8EBL
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BU of 8ebl by Molmil
Structure of KLHDC2 substrate binding domain bound to C-degron from EPHB2
Descriptor: GLU-ASP-SER-HIS-LYS-GLU-SER-ASN-ASP-CYS-SER-CYS-GLY-GLY, Kelch domain-containing protein 2
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
8IZZ
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BU of 8izz by Molmil
Cryo-EM structure of DIP-2I8I polymorph 2
Descriptor: GLY-PHI-GLY-ASN-GLY-ASN-GLY-PHI-GLY
Authors:Li, D.N, Ma, Y.Y, Li, D, Dai, B, Liu, C.
Deposit date:2023-04-09
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Cryo-EM structure of DIP-2I8I fibril polymorph 2
To Be Published
6WMQ
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BU of 6wmq by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide
Descriptor: Nuclear receptor Rev-ErbA beta variant 1, Nuclear receptor corepressor 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mosure, S.A, Shang, J, Kojetin, D.J.
Deposit date:2020-04-21
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021

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PDB entries from 2024-07-31

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