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8DT3
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BU of 8dt3 by Molmil
Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ...
Authors:Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J.
Deposit date:2022-07-25
Release date:2022-08-03
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif.
Sci Immunol, 7, 2022
4WVO
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BU of 4wvo by Molmil
An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1
Descriptor: (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, MAGNESIUM ION, ...
Authors:Peterson, F.C, Volkman, B.F, Cutler, S.R.
Deposit date:2014-11-06
Release date:2015-02-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Agrochemical control of plant water use using engineered abscisic acid receptors.
Nature, 520, 2015
7P7U
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BU of 7p7u by Molmil
E. faecalis 70S ribosome with P-tRNA, state IV
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
7S0Z
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BU of 7s0z by Molmil
Structures of TcdB in complex with R-Ras
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
Authors:Zheng, L, Rongsheng, J, Peng, C.
Deposit date:2021-08-31
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
4X37
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BU of 4x37 by Molmil
Gallus interleukin-1 mutant - E118K
Descriptor: IL-1 beta
Authors:Yin, H.S, Cheng, W.T, Cheng, T.
Deposit date:2014-11-28
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Gallus interleukin-1 mutant - E118K
To Be Published
8RQD
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BU of 8rqd by Molmil
Crystal structure of human DNPH1 mutant-Y24F
Descriptor: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Devi, S, da Silva, R.G.
Deposit date:2024-01-17
Release date:2024-11-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Human 2'-Deoxynucleoside 5'-Phosphate N-Hydrolase 1: The Catalytic Roles of Tyr24 and Asp80.
Chembiochem, 25, 2024
6OLQ
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BU of 6olq by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, apo state
Descriptor: ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Cui, D.S, Lipchock, J.M, Loria, J.P.
Deposit date:2019-04-16
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6OLV
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BU of 6olv by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, apo state
Descriptor: ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Cui, D.S, Lipchock, J.M, Loria, J.P.
Deposit date:2019-04-17
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
7OU8
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BU of 7ou8 by Molmil
Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ...
Authors:Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L.
Deposit date:2021-06-11
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
J.Am.Chem.Soc., 144, 2022
6YXT
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BU of 6yxt by Molmil
Crystal structure of the ADP-bound form of choline kinase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Choline kinase, ...
Authors:Torretta, A, Parisini, E.
Deposit date:2020-05-03
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Crystals, 2020
7PC4
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BU of 7pc4 by Molmil
The PDZ domain of SNTB1 complexed with the PDZ-binding motif of HTLV1-TAX1
Descriptor: 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7RLJ
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BU of 7rlj by Molmil
Cryo-EM structure of human p97 bound to CB-5083 and ATPgS.
Descriptor: 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
Deposit date:2021-07-23
Release date:2021-09-22
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
7RLI
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BU of 7rli by Molmil
Cryo-EM structure of human p97 bound to CB-5083 and ADP.
Descriptor: 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
Deposit date:2021-07-23
Release date:2021-09-22
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
7PGX
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BU of 7pgx by Molmil
Structure of dark-adapted AsLOV2 wild type
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gelfert, R, Weyand, M, Moeglich, A.
Deposit date:2021-08-16
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.001 Å)
Cite:Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
7PH0
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BU of 7ph0 by Molmil
Structure of light-adapted AsLOV2 Q513L
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Gelfert, R, Weyand, M, Moeglich, A.
Deposit date:2021-08-16
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.979 Å)
Cite:Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
7PGY
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BU of 7pgy by Molmil
Structure of light-adapted AsLOV2 wild type
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gelfert, R, Weyand, M, Moeglich, A.
Deposit date:2021-08-16
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
6WNP
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BU of 6wnp by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Anson, B, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-23
Release date:2020-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.443 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A
To Be Published
8Z47
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BU of 8z47 by Molmil
Beta-galactosidase from Bacteroides xylanisolvens (ligand-free)
Descriptor: Beta-galactosidase, alpha-D-galactopyranose
Authors:Nakajima, M, Motouchi, S, Kobayashi, K.
Deposit date:2024-04-16
Release date:2025-01-01
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and function of a beta-1,2-galactosidase from Bacteroides xylanisolvens, an intestinal bacterium.
Commun Biol, 8, 2025
8DQK
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BU of 8dqk by Molmil
Intermediate resolution structure of barley (1,3;1,4)-beta-glucan synthase CslF6.
Descriptor: Cellulose synthase-like CslF6
Authors:Ho, R, Purushotham, P, Zimmer, J.
Deposit date:2022-07-19
Release date:2022-11-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Mechanism of mixed-linkage glucan biosynthesis by barley cellulose synthase-like CslF6 (1,3;1,4)-beta-glucan synthase.
Sci Adv, 8, 2022
8D12
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BU of 8d12 by Molmil
Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-4-amine
Descriptor: 1-methyl-1H-pyrazol-4-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
6GXS
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BU of 6gxs by Molmil
Crystal structure of CV39L lectin from Chromobacterium violaceum at 1.8 A resolution
Descriptor: 1,2-ETHANEDIOL, CV39L lectin, DI(HYDROXYETHYL)ETHER, ...
Authors:Sykorova, P, Novotna, J, Demo, G, Pompidor, G, Dubska, E, Komarek, J, Fujdiarova, E, Haronikova, L, Varrot, A, Imberty, A, Shilova, N, Bovin, N, Pokorna, M, Wimmerova, M.
Deposit date:2018-06-27
Release date:2019-12-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold.
Int.J.Biol.Macromol., 152, 2020
8ERF
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BU of 8erf by Molmil
HTLV-1 capsid protein N-terminal domain orthorhombic crystal form
Descriptor: SULFATE ION, capsid protein p24
Authors:Yu, R.J, Li, N, Jacques, D.A.
Deposit date:2022-10-11
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:HTLV-1 capsid protein N-terminal domain orthorhombic crystal form
To Be Published
7R9L
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BU of 7r9l by Molmil
Crystal structure of HPK1 in complex with compound 2
Descriptor: 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
8D10
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BU of 8d10 by Molmil
Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine
Descriptor: 1-(1-methyl-1H-pyrazol-5-yl)methanamine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
4X5C
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BU of 4x5c by Molmil
Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis with pyrophosphate/PRPP and Mg2+ bound
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Cookson, T.V.M, Parker, E.J, Lott, J.S.
Deposit date:2014-12-05
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015

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