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8U3L
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BU of 8u3l by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Descriptor: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Stein, A, Liang, A.D.
Deposit date:2021-05-25
Release date:2021-07-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
4WI5
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BU of 4wi5 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H310A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
6VTR
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BU of 6vtr by Molmil
Crystal structure of G16S human Galectin-7 mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Galectin-7
Authors:Pham, N.T.H, Calmettes, C, Doucet, N.
Deposit date:2020-02-13
Release date:2021-08-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
9J99
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BU of 9j99 by Molmil
Substrate-engaged TOM complex from yeast
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
Authors:Yang, Y.Q, Wang, G.P.
Deposit date:2024-08-22
Release date:2025-09-10
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Substrate-engaged TOM complex from yeast
To Be Published
6GSD
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BU of 6gsd by Molmil
Plantago Major multifunctional oxidoreductase in complex with progesterone and NADP+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROGESTERONE, Progesterone 5-beta-reductase
Authors:Fellows, R, Silva, C, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily.
Sci Rep, 8, 2018
8WAG
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BU of 8wag by Molmil
Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1
Descriptor: Protein CHUP1, chloroplastic
Authors:Shimada, A, Nakamura, Y, Takano, A, Kohda, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
7OO4
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BU of 7oo4 by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Descriptor: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase
Authors:Stein, A, Liang, A.D.
Deposit date:2021-05-26
Release date:2021-07-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
6WP3
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BU of 6wp3 by Molmil
Pyruvate Kinase M2 Mutant-K433Q
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Nandi, S, Razzaghi, M, Srivastava, D, Dey, M.
Deposit date:2020-04-26
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation.
J.Biol.Chem., 295, 2020
6YIL
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BU of 6yil by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
Descriptor: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
4R1L
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BU of 4r1l by Molmil
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-06
Release date:2014-08-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution
To be published
9CXR
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BU of 9cxr by Molmil
X-ray Crystallographic Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 at Room Temperature
Descriptor: 1,2-ETHANEDIOL, Poly(hexamethylene adipamide) hydrolase, SODIUM ION, ...
Authors:Meilleur, F, Williams, A.N, Drufva, E.E, Parks, J.M, Chen, S.H, Michener, J.K.
Deposit date:2024-07-31
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification and characterization of substrate- and product-selective nylon hydrolases.
Biorxiv, 2024
5JPE
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BU of 5jpe by Molmil
Yeast-specific serine/threonine protein phosphatase (PPZ1) of Candida albicans
Descriptor: CITRATE ANION, GLYCEROL, Serine/threonine-protein phosphatase
Authors:Choy, M.S, Chen, E.H, Peti, W, Page, R.
Deposit date:2016-05-03
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Mbio, 7, 2016
8Z4S
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BU of 8z4s by Molmil
The crystal structure of a Hydroquinone Dioxygenase PaD with nonnatural substrate S6
Descriptor: 2,3,5-trimethylbenzene-1,4-diol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Liu, Z.W, Huang, J.-W, Wang, Y.X, Chen, C.-C, Guo, R.-T.
Deposit date:2024-04-17
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs.
Nat Commun, 15, 2024
6WYR
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BU of 6wyr by Molmil
Crystal structure of anti-Muscle Specific Kinase (MuSK) Fab, MuSK1A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MuSK1A heavy chain, ...
Authors:Vieni, C, Ekiert, D.
Deposit date:2020-05-13
Release date:2020-07-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Affinity maturation is required for pathogenic monovalent IgG4 autoantibody development in myasthenia gravis.
J.Exp.Med., 217, 2020
6YQU
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BU of 6yqu by Molmil
CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE
Descriptor: 3~{H}-1,3-benzoxazole-2-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2020-04-18
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site.
Chem.Commun.(Camb.), 56, 2020
8HZC
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BU of 8hzc by Molmil
Formed alpha-synuclein fibrils after incubation with heparin for 1 hour (Hep-remod-2)
Descriptor: Alpha-synuclein
Authors:Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
Deposit date:2023-01-08
Release date:2024-01-10
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Formed alpha-synuclein fibrils after incubation with heparin for 1 hour (Hep-remod-2)
To Be Published
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
Descriptor: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
5MER
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BU of 5mer by Molmil
Human Leukocyte Antigen A02 presenting ILAKFLHEL
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
Deposit date:2016-11-16
Release date:2016-12-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
6NQY
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BU of 6nqy by Molmil
Flagellar protein FcpA from Leptospira biflexa / ab-centered monoclinic form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Flagellar coiling protein A, ...
Authors:Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete.
Elife, 9, 2020
8OZ1
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BU of 8oz1 by Molmil
CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor
Descriptor: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, BORIC ACID, Cellulase, ...
Authors:McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-05-06
Release date:2024-02-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
3LS4
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BU of 3ls4 by Molmil
Crystal Structure of Anti-tetrahydrocannabinol Fab Fragment in Complex with THC
Descriptor: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Heavy chain of antibody Fab fragment, Light chain of antibody Fab fragment
Authors:Niemi, M.H, Rouvinen, J.
Deposit date:2010-02-12
Release date:2010-06-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural insight into the molecular recognition of a (-)-Delta9-tetrahydrocannabinol and the development of a sensitive, one-step, homogeneous immunocomplex-based assay for its detection
J.Mol.Biol., 400, 2010
9FKB
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BU of 9fkb by Molmil
Tail of emppty Haloferax tailed virus 1
Descriptor: Baseplate to tube adapter protein gp41, HK97 gp6-like/SPP1 gp15-like head-tail connector, MAGNESIUM ION, ...
Authors:Zhang, D, Daum, B, Isupov, M.N, McLaren, M.
Deposit date:2024-06-03
Release date:2025-06-18
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail.
Sci Adv, 11, 2025
8OF3
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BU of 8of3 by Molmil
Structure of the apoform of ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PENTAETHYLENE GLYCOL, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A.
Deposit date:2023-03-13
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.348 Å)
Cite:A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway
To Be Published

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