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7BOS
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BU of 7bos by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13
Descriptor: Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ...
Authors:Kudo, N, Olsen, C.A, Minoru, Y.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
5ZXF
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BU of 5zxf by Molmil
The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a
Descriptor: 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2
Authors:Cheng, X.Y, Su, Z.D, Pi, N, Cao, C.Z, Zhao, Z.T, Zhou, J.J, Chen, R, Kuang, Z.K, Huang, Y.Q.
Deposit date:2018-05-19
Release date:2018-08-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a
To Be Published
5ZXW
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BU of 5zxw by Molmil
Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T.
Deposit date:2018-05-22
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.316 Å)
Cite:Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
5ZZE
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BU of 5zze by Molmil
Crystal structure of horse myoglobin crystallized by ammonium sulfate
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T.
Deposit date:2018-06-01
Release date:2019-02-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
7BWV
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BU of 7bwv by Molmil
Crystal structure of S. thermophilus NFeoB E67A bound to GDP.AlF4-
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Batra, S, Prakash, B.
Deposit date:2020-04-16
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of S. thermophilus NFeoB E67A bound to GDP.AlF4-
To be published
7BDN
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BU of 7bdn by Molmil
Structure of the Streptomyces coelicolor small laccase - cubic crystal form
Descriptor: COPPER (II) ION, Putative copper oxidase
Authors:Zovo, K, Majumdar, S, Lukk, T.
Deposit date:2020-12-22
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2).
Acs Omega, 7, 2022
6WUU
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BU of 6wuu by Molmil
Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250
Descriptor: MAGNESIUM ION, Non-structural protein 3, VIR250, ...
Authors:Lv, Z, Olsen, S.K.
Deposit date:2020-05-05
Release date:2020-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Sci Adv, 6, 2020
6AAV
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BU of 6aav by Molmil
Crystal structure of alpha-glucosyl transfer enzyme, XgtA at 1.72 angstrom resolution
Descriptor: Alpha-glucosyltransferase
Authors:Kurumizaka, H, Arimura, Y, Kirimura, K, Watanabe, R.
Deposit date:2018-07-19
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of alpha-glucosyl transfer enzyme XgtA from Xanthomonas campestris WU-9701.
Biochem.Biophys.Res.Commun., 526, 2020
6WIR
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BU of 6wir by Molmil
Fab antigen complex
Descriptor: Fab heavy chain, Fab light chain, Interleukin-17A
Authors:Antonysamy, S.
Deposit date:2020-04-10
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
7BKR
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BU of 7bkr by Molmil
Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
Deposit date:2021-01-17
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
To Be Published
7BKV
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BU of 7bkv by Molmil
Endothiapepsin structure obtained at 100K with fragment AC39729 bound
Descriptor: 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
Deposit date:2021-01-17
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Endothiapepsin structure obtained at 100K with fragment AC39729 bound
To Be Published
7BKY
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BU of 7bky by Molmil
Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ...
Authors:Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
Deposit date:2021-01-17
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
To Be Published
7BKZ
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BU of 7bkz by Molmil
Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin
Authors:Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
Deposit date:2021-01-17
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
To Be Published
7BKS
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BU of 7bks by Molmil
100K endothiapepsin structure obtained in presence of 40 mM DMSO
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
Deposit date:2021-01-17
Release date:2022-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:100K endothiapepsin structure obtained in presence of 40 mM DMSO
To Be Published
7BKU
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BU of 7bku by Molmil
Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
Descriptor: 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin
Authors:Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
Deposit date:2021-01-17
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
To Be Published
6A9W
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BU of 6a9w by Molmil
Structure of the bifunctional DNA primase-polymerase from phage NrS-1
Descriptor: Primase
Authors:Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H.
Deposit date:2018-07-16
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1.
Biochem. Biophys. Res. Commun., 510, 2019
6WX4
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BU of 6wx4 by Molmil
Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251
Descriptor: Non-structural protein 3, VIR251, ZINC ION
Authors:Lv, Z, Olsen, S.K.
Deposit date:2020-05-09
Release date:2020-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Sci Adv, 6, 2020
7C44
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BU of 7c44 by Molmil
Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4
Authors:Cheng, X.Y, Zhang, B.L, Kuang, Z.K, Yang, J, Li, Z.C, Yu, J.P, Zhao, Z.T, Cao, C.Z, Su, Z.D.
Deposit date:2020-05-15
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
To Be Published
8A9M
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BU of 8a9m by Molmil
Hippeastrum hybrid agglutinin, HHA, complex with beta-mannose
Descriptor: Agglutinin, PHOSPHATE ION, beta-D-mannopyranose
Authors:Rizkallah, P.J.
Deposit date:2022-06-28
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure solution of amaryllis lectin by molecular replacement with only 4% of the total diffracting matter.
Acta Crystallogr D Biol Crystallogr, 52, 1996
5ZXE
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BU of 5zxe by Molmil
Structure of a consensus sequence derived from the FGF family
Descriptor: CHLORIDE ION, Consensus sequence based basic form of fibroblast growth factor, GLYCEROL, ...
Authors:Tripathi, S.K, Mandalaparthy, V, Ramaswamy, S, Gosavi, S.
Deposit date:2018-05-19
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a consensus sequence derived from the FGF family
To be published
6L1L
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BU of 6l1l by Molmil
Apo-BacF structure from Bacillus subtillis
Descriptor: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Balasubramanian, G, Deshmukh, A.A.
Deposit date:2019-09-29
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the catalytic mechanism of Bacillus subtilis BacF.
Acta Crystallogr.,Sect.F, 76, 2020
6WRM
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BU of 6wrm by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 month
Descriptor: (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium, CHLORIDE ION, Lysozyme, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
6WRL
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BU of 6wrl by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 week
Descriptor: ACETATE ION, Lysozyme, Rhodium, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
6X00
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BU of 6x00 by Molmil
Structure of DbNA(11) peptides bound to H-2Db MHC-I
Descriptor: Beta-2-microglobulin, Epitope from Neuraminidase Protein (NA-181-191), H-2 class I histocompatibility antigen, ...
Authors:Farenc, C, Rossjohn, J.
Deposit date:2020-05-14
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
7C3Q
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BU of 7c3q by Molmil
Human MdmX protein in complex with Nutlin3a
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, DI(HYDROXYETHYL)ETHER, ...
Authors:Su, Z.D, Cheng, X.Y, Zhang, B.L, Kuang, Z.K, Yang, J, Li, Z.C, Yu, J.P, Zhao, Z.T, Cao, C.Z.
Deposit date:2020-05-13
Release date:2020-06-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Human MdmX protein in complex with Nutlin3a
To Be Published

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