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8TOO
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BU of 8too by Molmil
Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12
Descriptor: 4C12 heavy chain, 4C12 light chain, Glycoprotein 42
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-03
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8BOL
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BU of 8bol by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18
Descriptor: (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Barinka, C, Benesova, M.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18
To Be Published
7R2E
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BU of 7r2e by Molmil
Structure of human Senp7 with SUMO2
Descriptor: Sentrin-specific protease 7, Small ubiquitin-related modifier 3, prop-2-en-1-amine
Authors:Reverter, D, Li, Y.
Deposit date:2022-02-04
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural Basis for the SUMO2 Isoform Specificity of SENP7.
J.Mol.Biol., 434, 2022
7M5U
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BU of 7m5u by Molmil
Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246
Descriptor: M-phase phosphoprotein 8, UNC5246
Authors:Budziszewski, G.R, McGinty, R.K, Waybright, J.M, Norris, J.L, James, L.I.
Deposit date:2021-03-24
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A Peptidomimetic Ligand Targeting the Chromodomain of MPP8 Reveals HRP2's Association with the HUSH Complex.
Acs Chem.Biol., 16, 2021
6DNO
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BU of 6dno by Molmil
Crystal structure of Protein Phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (Gm)
Descriptor: Microcystin-LR, Protein phosphatase 1 regulatory subunit 3A, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Authors:Choy, M.S, Kumar, G.S, Peti, W, Page, R.
Deposit date:2018-06-07
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Identification of the substrate recruitment mechanism of the muscle glycogen protein phosphatase 1 holoenzyme.
Sci Adv, 4, 2018
6FTQ
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BU of 6ftq by Molmil
Crystal structure of human beta-ureidopropionase (beta-alanine synthase) - mutant T299C
Descriptor: Beta-ureidopropionase
Authors:Dobritzsch, D, Maurer, D.
Deposit date:2018-02-23
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure and pH-dependent allosteric regulation of human beta-ureidopropionase, an enzyme involved in anticancer drug metabolism.
Biochem. J., 475, 2018
5VGY
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BU of 5vgy by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ...
Authors:Peat, T.S.
Deposit date:2017-04-11
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
7R3G
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BU of 7r3g by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with the synthetic antagonist mBTL
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Regulatory protein RhlR
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
8BJY
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BU of 8bjy by Molmil
Engineered Fructosyl Peptide Oxidase - X02B mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL
Authors:Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
Deposit date:2022-11-08
Release date:2023-11-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
6DTE
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BU of 6dte by Molmil
GlcNAc-inspired cyclophellitol bound to NagZ
Descriptor: 2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide, Beta-hexosaminidase
Authors:Mark, B.L, Winogrodzki, J.L.
Deposit date:2018-06-15
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:A mechanism-based GlcNAc-inspired cyclophellitol inactivator of the peptidoglycan recycling enzyme NagZ reverses resistance to beta-lactams in Pseudomonas aeruginosa.
Chem. Commun. (Camb.), 54, 2018
6DPD
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BU of 6dpd by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 16 mM Mn2+ and 200 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8BLX
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BU of 8blx by Molmil
Engineered Fructosyl Peptide Oxidase - X02A mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02A), ...
Authors:Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
Deposit date:2022-11-10
Release date:2023-11-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
8BO8
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BU of 8bo8 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17
Descriptor: (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Barinka, C, Benesova, M.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17
To Be Published
6FVI
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BU of 6fvi by Molmil
ASH / PapD-like domain of human CEP192 (PapD-like domain 7)
Descriptor: CHLORIDE ION, Centrosomal protein of 192 kDa
Authors:Kovalevskiy, O.V, van Breugel, M.
Deposit date:2018-03-02
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:ASH / PapD-like domain of human CEP192 (PapD-like domain 7)
To Be Published
8BQ7
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BU of 8bq7 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
Descriptor: GLYCEROL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
Authors:Scaletti, E, Stenmark, P.
Deposit date:2022-11-19
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
To Be Published
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
6DQQ
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BU of 6dqq by Molmil
Crystal structure of Haemophilus influenzae OppA complex with endogenous peptide
Descriptor: ACETATE ION, ALA-ALA-ALA-ALA, Periplasmic oligopeptide-binding protein, ...
Authors:Tanaka, K.J, Pinkett, H.W.
Deposit date:2018-06-11
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
8BNB
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BU of 8bnb by Molmil
Crystal structure of Trichoplax Scribble PDZ2 domain
Descriptor: Leucine-rich repeat-containing protein 1
Authors:Maddumage, J.C, Kvansakul, M.
Deposit date:2022-11-14
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of Trichoplax Scribble PDZ2 domain
To be published
6KB2
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BU of 6kb2 by Molmil
X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by soaking
Descriptor: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I.
Deposit date:2019-06-24
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
8BMU
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BU of 8bmu by Molmil
Engineered Fructosyl Peptide Oxidase - X04 mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X04), ...
Authors:Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
Deposit date:2022-11-11
Release date:2023-11-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
8TR4
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BU of 8tr4 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404
Descriptor: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-09
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
5VDR
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BU of 5vdr by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdIMP
Descriptor: 3',3'-cdIMP, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
8BOS
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BU of 8bos by Molmil
Transition state analogue complex of small G protein and its GAP effector
Descriptor: GTPase HRas, GUANIDINE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A small G protein with MgF3 TSA complex
To Be Published
6KB9
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BU of 6kb9 by Molmil
X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by cross-seeding
Descriptor: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-06-24
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6FXR
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BU of 6fxr by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal
Descriptor: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
Deposit date:2018-03-09
Release date:2018-08-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018

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數據於2024-08-28公開中

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