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6JU4
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BU of 6ju4 by Molmil
Aspergillus oryzae pro-tyrosinase F513Y mutant
Descriptor: COPPER (II) ION, Tyrosinase
Authors:Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2019-04-13
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
6KD2
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BU of 6kd2 by Molmil
Room temperature structure of glucose isomerase delivered in gelatin by serial millisecond crystallography
Descriptor: MAGNESIUM ION, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2019-06-30
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stable sample delivery in viscous media via a capillary for serial crystallography.
J.Appl.Crystallogr., 53, 2020
8HPF
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BU of 8hpf by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-12
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
6KDH
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BU of 6kdh by Molmil
Antibody 64M-5 Fab including isoAsp in ligand-free form
Descriptor: Anti-(6-4) photoproduct antibody 64M-5 Fab (heavy chain), Anti-(6-4) photoproduct antibody 64M-5 Fab (light chain)
Authors:Yokoyama, H, Mizutani, R, Noguchi, S, Hayashida, N.
Deposit date:2019-07-02
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural and biochemical basis of the formation of isoaspartate in the complementarity-determining region of antibody 64M-5 Fab.
Sci Rep, 9, 2019
8HPP
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BU of 8hpp by Molmil
Crystal structure of human INTS3 with SAGE1
Descriptor: Integrator complex subunit 3, Sarcoma antigen 1
Authors:Deng, W, Wu, J, Lei, M.
Deposit date:2022-12-12
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cancer-testis antigen SAGE1 is a pan-cancer master regulator of RNA polymerase II
To Be Published
6JVH
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BU of 6jvh by Molmil
Crystal structure of human MTH1 in complex with compound MI0320
Descriptor: 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Peng, C, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVO
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BU of 6jvo by Molmil
Crystal structure of human MTH1 in complex with compound MI1022
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6KEK
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BU of 6kek by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
Descriptor: 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6JVY
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BU of 6jvy by Molmil
Crystal structure of RBM38 in complex with single-stranded DNA
Descriptor: DNA (5'-D(*TP*GP*TP*GP*TP*GP*TP*GP*TP*GP*TP*G)-3'), RNA-binding protein 38, SULFATE ION
Authors:Qian, K, Li, M, Wang, J, Zhang, M, Wang, M.
Deposit date:2019-04-17
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural basis for mRNA recognition by human RBM38.
Biochem.J., 477, 2020
6KIJ
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BU of 6kij by Molmil
Crystal structure of yedK with ssDNA containing an abasic site
Descriptor: DNA (5'-D(*GP*AP*TP*TP*CP*GP*TP*CP*G)-3'), GLYCEROL, PENTANE-3,4-DIOL-5-PHOSPHATE, ...
Authors:Wang, N, Bao, H, Huang, H.
Deposit date:2019-07-18
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Molecular basis of abasic site sensing in single-stranded DNA by the SRAP domain of E. coli yedK.
Nucleic Acids Res., 47, 2019
6KIN
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BU of 6kin by Molmil
Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase
Authors:Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L.
Deposit date:2019-07-19
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
6KKF
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BU of 6kkf by Molmil
Crystal structure of proteinase K complexed with a triglycine
Descriptor: CALCIUM ION, Proteinase K, glycylglycylglycine
Authors:Nam, K.H.
Deposit date:2019-07-25
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Triglycine-Based Approach for Identifying the Substrate Recognition Site of an Enzyme
Crystals, 9, 2019
6KKP
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BU of 6kkp by Molmil
The crystal structure of apo-SiaC from Pseudomonas aeruginosa
Descriptor: DUF1987 domain-containing protein
Authors:Gan, J.H, Yang, C, Chen, G.K, Liang, H.H.
Deposit date:2019-07-26
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The SiaA/B/C/D signaling network regulates biofilm formation in Pseudomonas aeruginosa.
Embo J., 39, 2020
6KKV
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BU of 6kkv by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: DNA ligase A, N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-07-27
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
6JSU
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BU of 6jsu by Molmil
Structure of Geobacillus kaustophilus lactonase, Y99C/D266N double mutant
Descriptor: FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ...
Authors:Xue, B, Yew, W.S.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Structure, 28, 2020
6K1X
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BU of 6k1x by Molmil
Crystal structure of Rhodothermus marinus substrate-binding protein at pH 6.0
Descriptor: ABC-type uncharacterized transport system periplasmic component-like protein
Authors:Nam, K.H.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Crystal structure of Rhodothermus marinus substrate-binding protein at pH 6.0
To Be Published
6K6M
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BU of 6k6m by Molmil
Crystal structure of HIV-2 Nef protein
Descriptor: Protein Nef
Authors:Hirao, K, Andrews, S, Kuroki, K, Kusaka, H, Tadokoro, T, Kita, S, Ose, T, Rowland-Jones, S, Maenaka, K.
Deposit date:2019-06-04
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.072 Å)
Cite:Structure of HIV-2 Nef Reveals Features Distinct from HIV-1 Involved in Immune Regulation.
Iscience, 23, 2020
6JZ7
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BU of 6jz7 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with N1-substituted uronic isofagomine
Descriptor: (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid, Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y.
Deposit date:2019-04-30
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
6K01
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BU of 6k01 by Molmil
Crystal structure of xH2A-H2B
Descriptor: Histone H2A, Histone H2B 1.1
Authors:Liu, Y.R.
Deposit date:2019-05-05
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.839 Å)
Cite:Crystal structure of xlH2A-H2B
Structure, 2019
6K09
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BU of 6k09 by Molmil
Crystal structure B of ceNAP1-H2A-H2B complex
Descriptor: Histone H2B 1,Histone H2A, Nucleosome Assembly Protein
Authors:Liu, Y.R.
Deposit date:2019-05-05
Release date:2019-10-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Crystal structure of xlH2A-H2B
Structure, 2019
6KCD
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BU of 6kcd by Molmil
Room temperature structure of lysozyme delivered in shortening B by serial millisecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Nam, K.H.
Deposit date:2019-06-27
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Shortening injection matrix for serial crystallography.
Sci Rep, 10, 2020
6K83
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BU of 6k83 by Molmil
Structure of RGLG1 mutant-D207G
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION
Authors:Wang, Q, Wu, Y.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:RGLG1 mutant-D207G
To Be Published
6KA6
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BU of 6ka6 by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1
Descriptor: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-21
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6KAV
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BU of 6kav by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-06-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KCA
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BU of 6kca by Molmil
Room temperature structure of glucose isomerase delivered in shortening A by serial millisecond crystallography
Descriptor: MAGNESIUM ION, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2019-06-27
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Shortening injection matrix for serial crystallography.
Sci Rep, 10, 2020

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