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7K9R
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BU of 7k9r by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain
Descriptor: CHLORIDE ION, Hsp90-like protein
Authors:Kuntz, D.A, Kenney, T, Prive, G.G.
Deposit date:2020-09-29
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
1PD9
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BU of 1pd9 by Molmil
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase
Descriptor: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, SULFATE ION
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
Deposit date:2003-05-19
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
7KBC
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BU of 7kbc by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D (construct with truncated loop 51-72) in complex with baloxavir acid
Descriptor: Baloxavir acid, GLYCEROL, Hexa Vinylpyrrolidone K15, ...
Authors:Cuypers, M.G, Kumar, G, Slavish, J, White, S.W.
Deposit date:2020-10-02
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
6OM3
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BU of 6om3 by Molmil
Crystal structure of the Orc1 BAH domain in complex with a nucleosome core particle
Descriptor: DNA (146-MER), DNA (147-MER), Histone H2A, ...
Authors:De Ioannes, P.E, Wang, M, Armache, K.-J.
Deposit date:2019-04-18
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and function of the Orc1 BAH-nucleosome complex.
Nat Commun, 10, 2019
7JL4
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BU of 7jl4 by Molmil
Crystal structure of TRIM65 PSpry domain
Descriptor: GLYCEROL, Tripartite motif-containing protein 65
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7D7N
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BU of 7d7n by Molmil
Cryo-EM structure of human ABCB6 transporter
Descriptor: ATP-binding cassette sub-family B member 6, mitochondrial
Authors:Wang, C, Cao, C, Wang, N, Wang, X, Zhang, X.C.
Deposit date:2020-10-05
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-electron microscopy structure of human ABCB6 transporter.
Protein Sci., 29, 2020
7UTE
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BU of 7ute by Molmil
MicroED structure of Aeropyrum pernix protoglobin mutant
Descriptor: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Protogloblin ApPgb
Authors:Danelius, E, Gonen, T, Unge, J.T.
Deposit date:2022-04-26
Release date:2022-05-25
Last modified:2024-04-03
Method:ELECTRON CRYSTALLOGRAPHY (2.1 Å)
Cite:Biocatalytic Carbene Transfer Using Diazirines.
J.Am.Chem.Soc., 144, 2022
7K4U
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BU of 7k4u by Molmil
Crystal structure of Kemp Eliminase HG3 K50Q in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.96543121 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
7D7Q
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BU of 7d7q by Molmil
Crystal structure of the transmembrane domain and linker region of Salpingoeca rosetta rhodopsin phosphodiesterase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphodiesterase, RETINAL
Authors:Ikuta, T, Shihoya, W, Yamashita, K, Nureki, O.
Deposit date:2020-10-05
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural insights into the mechanism of rhodopsin phosphodiesterase.
Nat Commun, 11, 2020
7X1K
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BU of 7x1k by Molmil
Crystal structure of the flagellar expression regulator DegU from Listeria monocytogenes
Descriptor: Chemotaxis protein CheY
Authors:Oh, H.B, Lee, S, Yoon, S.I.
Deposit date:2022-02-24
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural and biochemical analyses of the flagellar expression regulator DegU from Listeria monocytogenes.
Sci Rep, 12, 2022
7TGR
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BU of 7tgr by Molmil
Structure of SARS-CoV-2 main protease in complex with GC376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 1,2-ETHANEDIOL, ...
Authors:Esler, M.A, Shi, K, Aihara, H, Harris, R.S.
Deposit date:2022-01-09
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Gain-of-Signal Assays for Probing Inhibition of SARS-CoV-2 M pro /3CL pro in Living Cells.
Mbio, 13, 2022
7D7R
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BU of 7d7r by Molmil
Cryo-EM structure of the core domain of human ABCB6 transporter
Descriptor: ATP-binding cassette sub-family B member 6, mitochondrial
Authors:Wang, C, Cao, C, Wang, N, Wang, X, Zhang, X.C.
Deposit date:2020-10-05
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-electron microscopy structure of human ABCB6 transporter.
Protein Sci., 29, 2020
7X6Z
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BU of 7x6z by Molmil
TRIM7 in complex with C-terminal peptide of NSP12
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7X70
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BU of 7x70 by Molmil
TRIM7 in complex with C-terminal peptide of NSP8
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7CZA
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BU of 7cza by Molmil
Hexachlorobenzene monooxygenase (HcbA1) from Nocardioides sp. strain PD653 complexed with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Hexachlorobenzene oxidative dehalogenase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-09-07
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Hexachlorobenzene Monooxygenase Substrate Selectivity and Catalysis: Structural and Biochemical Insights.
Appl.Environ.Microbiol., 87, 2020
7X6Y
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BU of 7x6y by Molmil
TRIM7 in complex with C-terminal peptide of NSP5
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7XO2
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BU of 7xo2 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-04-30
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XHY
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BU of 7xhy by Molmil
Crystal structure of MerTK Kinase domain with BMS794833
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Tyrosine-protein kinase Mer, ...
Authors:Kim, J.H, Lee, B.I.
Deposit date:2022-04-11
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:BMS794833 inhibits macrophage efferocytosis by directly binding to MERTK and inhibiting its activity.
Exp.Mol.Med., 54, 2022
7XO1
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BU of 7xo1 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-1) Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-04-30
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7JRH
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BU of 7jrh by Molmil
X-ray crystal structure of a cyclic peptide containing medin(19-25) and medin(31-37)
Descriptor: CALCIUM ION, Cyclic peptide ASP-GLN-TRP-MLE-GLN-VAL-ASP-ORD-GLU-VAL-THR-GLY-ILE-ILE-THR-ORD
Authors:Wierzbicki, M, Howitz, W.J, Nowick, J.S.
Deposit date:2020-08-12
Release date:2020-09-09
Last modified:2020-09-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Interpenetrating Cubes in the X-ray Crystallographic Structure of a Peptide Derived from Medin 19-36 .
J.Am.Chem.Soc., 142, 2020
5XNC
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BU of 5xnc by Molmil
Crystal structure of the branched-chain polyamine synthase (BpsA) in complex with N4-aminopropylspermidine and 5-methylthioadenosine
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Mizohata, E, Tse, K.M, Fujita, J, Inoue, T.
Deposit date:2017-05-22
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
FEBS J., 284, 2017
7K9W
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BU of 7k9w by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00461
Descriptor: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2020-09-29
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7UFW
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BU of 7ufw by Molmil
Pfs230 D1D2 in complex with LMIV230-01
Descriptor: Gametocyte surface protein P230, LMIV230-01
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-23
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7YIB
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BU of 7yib by Molmil
Crystal structure of wild-type Cap4 SAVED domain-containing receptor from Enterobacter cloacae
Descriptor: CD-NTase-associated protein 4, CHLORIDE ION
Authors:Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y.
Deposit date:2022-07-15
Release date:2023-05-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Specific recognition of cyclic oligonucleotides by Cap4 for phage infection.
Int.J.Biol.Macromol., 237, 2023

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