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7XJW
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BU of 7xjw by Molmil
Crystal structure of canine coronavirus main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ORF1a polyprotein
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chiu, Y.F, Chen, Y.
Deposit date:2022-04-18
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism.
Int J Mol Sci, 23, 2022
7TN1
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BU of 7tn1 by Molmil
Multistate design to stabilize viral class I fusion proteins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0
Authors:Huang, J, Banerjee, A, Gonzalez, K, Mousa, J, Strauch, E.
Deposit date:2022-01-20
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Multistate design to stabilize viral class I fusion proteins
To Be Published
2K0J
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BU of 2k0j by Molmil
Solution structure of CaM complexed to DRP1p
Descriptor: CALCIUM ION, LANTHANUM (III) ION, calmodulin
Authors:Bertini, I, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE)
Deposit date:2008-02-04
Release date:2009-03-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples.
J.Am.Chem.Soc., 131, 2009
4JF7
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BU of 4jf7 by Molmil
Structure of the parainfluenza virus 5 (PIV5) hemagglutinin-neuraminidase (HN) ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Welch, B.D, Yuan, P, Bose, S, Kors, C.A, Lamb, R.A, Jardetzky, T.S.
Deposit date:2013-02-27
Release date:2013-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5018 Å)
Cite:Structure of the Parainfluenza Virus 5 (PIV5) Hemagglutinin-Neuraminidase (HN) Ectodomain.
Plos Pathog., 9, 2013
1G20
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BU of 1g20 by Molmil
MGATP-BOUND AND NUCLEOTIDE-FREE STRUCTURES OF A NITROGENASE PROTEIN COMPLEX BETWEEN LEU127DEL-FE PROTEIN AND THE MOFE PROTEIN
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Chiu, H.-J, Peters, J.W, Lanzilotta, W.N, Ryle, M.J, Seefeldt, L.C, Howard, J.B, Rees, D.C.
Deposit date:2000-10-16
Release date:2001-01-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:MgATP-Bound and nucleotide-free structures of a nitrogenase protein complex between the Leu 127 Delta-Fe-protein and the MoFe-protein.
Biochemistry, 40, 2001
4QVJ
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BU of 4qvj by Molmil
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-acetylneuraminic acid
Descriptor: VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-07-15
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
6PY8
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BU of 6py8 by Molmil
Crystal structure of the RBPJ-NOTCH1-NRARP ternary complex bound to DNA
Descriptor: DNA, Neurogenic locus notch homolog protein 1, Notch-regulated ankyrin repeat-containing protein, ...
Authors:Jarrett, S.M, Seegar, T.C.M, Blacklow, S.C.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Extension of the Notch intracellular domain ankyrin repeat stack by NRARP promotes feedback inhibition of Notch signaling.
Sci.Signal., 12, 2019
7X1G
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BU of 7x1g by Molmil
Cryo-EM structure of human BTR1 in the inward-facing state at pH 5.5
Descriptor: Isoform 1 of Solute carrier family 4 member 11
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
4CYA
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BU of 4cya by Molmil
DpsA15 from Streptomyces coelicolor
Descriptor: DPSA15
Authors:Townsend, P.D, Hitchings, M.D, Del Sol, R, Pohl, E.
Deposit date:2014-04-10
Release date:2014-06-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Tale of Tails: Deciphering the Contribution of Terminal Tails to the Biochemical Properties of Two Dps Proteins from Streptomyces Coelicolor
Cell.Mol.Life Sci., 71, 2014
7X1J
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BU of 7x1j by Molmil
Cryo-EM structure of human BTR1 in the outward-facing state in the presence of NH4Cl.
Descriptor: Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
8OPX
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BU of 8opx by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
7X1H
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BU of 7x1h by Molmil
Cryo-EM structure of human BTR1 in the inward-facing state with R125H mutation
Descriptor: Isoform 1 of Solute carrier family 4 member 11
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
7X1I
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BU of 7x1i by Molmil
Cryo-EM structure of human BTR1 in the outward-facing state.
Descriptor: Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
8DPB
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BU of 8dpb by Molmil
MeaB in complex with the cobalamin-binding domain of its target mutase with GMPPCP bound
Descriptor: GLYCEROL, MAGNESIUM ION, Methylmalonyl-CoA mutase accessory protein, ...
Authors:Vaccaro, F.A, Born, D.A, Drennan, C.L.
Deposit date:2022-07-15
Release date:2023-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure of metallochaperone in complex with the cobalamin-binding domain of its target mutase provides insight into cofactor delivery.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OQO
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BU of 8oqo by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
3R24
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BU of 3r24 by Molmil
Crystal structure of nsp10/nsp16 complex of SARS coronavirus
Descriptor: 2'-O-methyl transferase, Non-structural protein 10 and Non-structural protein 11, S-ADENOSYLMETHIONINE, ...
Authors:Liu, X, Guo, D, Su, C, Chen, Y.
Deposit date:2011-03-13
Release date:2011-10-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and structural insights into the mechanisms of SARS coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex.
Plos Pathog., 7, 2011
7XFJ
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BU of 7xfj by Molmil
Structure of nucleosome-AAG complex (T-50I, post-catalytic state)
Descriptor: DNA (152-MER), DNA-3-methyladenine glycosylase, Histone H2A type 1, ...
Authors:Zheng, L, Tsai, B, Gao, N.
Deposit date:2022-04-01
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
8OQL
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BU of 8oql by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, FORMAMIDE, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPU
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BU of 8opu by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPW
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BU of 8opw by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPY
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BU of 8opy by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQN
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BU of 8oqn by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53
Descriptor: 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
4R9L
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BU of 4r9l by Molmil
Structure of a thermostable elevenfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis, containing two stabilizing disulfide bonds
Descriptor: (2R)-2-hydroxyhexanamide, Limonene-1,2-epoxide hydrolase
Authors:Floor, R.J, Wijma, H.J, Jekel, P.A, Terwisscha van Scheltinga, A.C, Dijkstra, B.W, Janssen, D.B.
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic validation of structure predictions used in computational design for protein stabilization.
Proteins, 83, 2015
8OPV
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BU of 8opv by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQM
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BU of 8oqm by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024

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