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9PSK
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BU of 9psk by Molmil
In situ MicroED structure of IL-33 activated human eosinophil major basic protein-1
Descriptor: Bone marrow proteoglycan, CHLORIDE ION
Authors:Yang, J.E, Bingman, C.A, Mitchell, J, Mosher, D, Wright, E.R.
Deposit date:2025-07-25
Release date:2025-09-03
Method:ELECTRON CRYSTALLOGRAPHY (3.18 Å)
Cite:In situ MicroED structure of the human eosinophil major basic protein-1
To Be Published
6UXM
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BU of 6uxm by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Bcl-2 homologous antagonist/killer
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
9QBY
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BU of 9qby by Molmil
Yeast 20S proteasome mutant: beta5_G128V (b5-propeptide in trans) in complex with ONX0914
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2025-03-04
Release date:2025-10-08
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Proteasome-associated autoinflammatory syndromes: The impact of mutations in proteasome subunits on particle assembly, structure, and activity.
Structure, 2025
8CHW
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BU of 8chw by Molmil
Crystal structure of human PURA (fragment Pro216-Lys280, PUR repeat III)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional activator protein Pur-alpha
Authors:Janowski, R, Niessing, D.
Deposit date:2023-02-08
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
9PDA
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BU of 9pda by Molmil
Structure of Porcine Trypsin Crystals Grown From PEG and Complexed With Crystallization Additives IV
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:McPherson, A.
Deposit date:2025-06-30
Release date:2025-09-24
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structure of Porcine Trypsin Crystals Grown From PEG and Complexed With Crystallization Additives IV
To Be Published
8CLU
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BU of 8clu by Molmil
Zearalenone lactonase from Rhodococcus erythropolis in complex with zearalactamenone
Descriptor: (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione, GLYCEROL, Zearalenone lactonase
Authors:Puehringer, D.
Deposit date:2023-02-17
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
9S2V
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BU of 9s2v by Molmil
NSP14 IN COMPLEX WITH LIGAND TDI-014925-CL-2 (compound 58)
Descriptor: CHLORIDE ION, Guanine-N7 methyltransferase nsp14, IMIDAZOLE, ...
Authors:Steinbacher, S, Huggins, D.J.
Deposit date:2025-07-22
Release date:2025-09-17
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery, Optimization, and Evaluation of Non-Nucleoside SARS-CoV-2 NSP14 Inhibitors.
J.Med.Chem., 68, 2025
8YK7
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BU of 8yk7 by Molmil
Structure of Rib domain from surface adhesin of Limosilactobacillus reuteri
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, SODIUM ION, ...
Authors:Xue, Y, Kang, X.
Deposit date:2024-03-04
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of the Rib domain of the cell-wall-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
1ELK
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BU of 1elk by Molmil
VHS domain of TOM1 protein from H. sapiens
Descriptor: TARGET OF MYB1
Authors:Misra, S, Beach, B, Hurley, J.H.
Deposit date:2000-03-13
Release date:2000-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the VHS domain of human Tom1 (target of myb 1): insights into interactions with proteins and membranes
Biochemistry, 39, 2000
1E8B
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BU of 1e8b by Molmil
Solution structure of 6F11F22F2, a compact three-module fragment of the gelatin-binding domain of human fibronectin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN
Authors:Pickford, A.R, Smith, S.P, Staunton, D, Boyd, J, Campbell, I.D.
Deposit date:2000-09-18
Release date:2000-10-15
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding
Embo J., 20, 2001
7PTI
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BU of 7pti by Molmil
STRUCTURAL EFFECTS INDUCED BY REMOVAL OF A DISULFIDE BRIDGE. THE X-RAY STRUCTURE OF THE C30A(SLASH)C51A MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR AT 1.6 ANGSTROMS
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Eigenbrot, C, Randal, M, Kossiakoff, A.A.
Deposit date:1990-03-08
Release date:1991-04-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural effects induced by removal of a disulfide-bridge: the X-ray structure of the C30A/C51A mutant of basic pancreatic trypsin inhibitor at 1.6 A.
Protein Eng., 3, 1990
8Y2R
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BU of 8y2r by Molmil
NMR Solution Structure of the 2:1 Coptisine-ATF4-G4 Complex
Descriptor: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (5'-D(*TP*AP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*GP*C*(LIG)*(LIG))-3')
Authors:Xiao, C.M, Li, Y.P, Liu, Y.S, Dong, R.F, He, X.Y, Lin, Q, Zang, X, Wang, K.B, Xia, Y.Z, Kong, L.Y.
Deposit date:2024-01-27
Release date:2024-12-04
Last modified:2025-06-18
Method:SOLUTION NMR
Cite:Overcoming Cancer Persister Cells by Stabilizing the ATF4 Promoter G-quadruplex.
Adv Sci, 11, 2024
6VGZ
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BU of 6vgz by Molmil
2.25 A resolution structure of MERS 3CL protease in complex with inhibitor 6d
Descriptor: N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide, Orf1a protein
Authors:Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
Deposit date:2020-01-09
Release date:2020-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
5A0D
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BU of 5a0d by Molmil
N-terminal thioester domain of surface protein from Clostridium perfringens, Cys138Ala mutant
Descriptor: 1,2-ETHANEDIOL, SURFACE ANCHORED PROTEIN
Authors:Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
Deposit date:2015-04-17
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
7QS5
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BU of 7qs5 by Molmil
Crystal structure of B30.2 PRYSPRY domain of TRIM67
Descriptor: 1,2-ETHANEDIOL, Tripartite motif-containing protein 67
Authors:Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2025-09-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of TRIM family PRYSPRY domains and its implications for E3-ligand design.
J Struct Biol X, 12, 2025
8CPJ
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BU of 8cpj by Molmil
Crystal structure of PPAR gamma (PPARG) in an inactive form
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
1EJC
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BU of 1ejc by Molmil
Crystal structure of unliganded mura (type2)
Descriptor: GLYCEROL, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYLTRANSFERASE
Authors:Eschenburg, S, Schonbrunn, E.
Deposit date:2000-03-02
Release date:2000-10-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative X-ray analysis of the un-liganded fosfomycin-target murA.
Proteins, 40, 2000
4XED
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BU of 4xed by Molmil
PKD domain of M14-like peptidase from Thermoplasmatales archaeon SCGC AB-540-F20
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Peptidase M14, ...
Authors:Michalska, K, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-12-23
Release date:2015-05-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:PKD domain of M14-like peptidase from Thermoplasmatales archaeon SCGC AB-540-F20
To Be Published
1EVT
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BU of 1evt by Molmil
CRYSTAL STRUCTURE OF FGF1 IN COMPLEX WITH THE EXTRACELLULAR LIGAND BINDING DOMAIN OF FGF RECEPTOR 1 (FGFR1)
Descriptor: PROTEIN (FIBROBLAST GROWTH FACTOR 1), PROTEIN (FIBROBLAST GROWTH FACTOR RECEPTOR 1), SULFATE ION
Authors:Plotnikov, A.N, Hubbard, S.R, Schlessinger, J, Mohammadi, M.
Deposit date:2000-04-20
Release date:2000-05-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of two FGF-FGFR complexes reveal the determinants of ligand-receptor specificity.
Cell(Cambridge,Mass.), 101, 2000
1EWK
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BU of 1ewk by Molmil
CRYSTAL STRUCTURE OF METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 1 COMPLEXED WITH GLUTAMATE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTAMIC ACID, ...
Authors:Kunishima, N, Shimada, Y, Jingami, H, Morikawa, K.
Deposit date:2000-04-26
Release date:2000-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of glutamate recognition by a dimeric metabotropic glutamate receptor.
Nature, 407, 2000
9FNV
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BU of 9fnv by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH12163
Descriptor: 2-(2-pyridin-3-yl-1~{H}-indol-3-yl)ethanamine, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Scaletti, E, Stenmark, P.
Deposit date:2024-06-11
Release date:2025-06-25
Last modified:2025-10-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Giving an Enzyme Scissors: Serotonin Derivatives as Potent Organocatalytic Switches for DNA Repair Enzyme OGG1.
J.Med.Chem., 2025
8EM1
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BU of 8em1 by Molmil
Type IIS Restriction Endonuclease PaqCI, DNA Unbound
Descriptor: 1,2-ETHANEDIOL, PaqCI, DNA Unbound
Authors:Kennedy, M.A, Stoddard, B.L.
Deposit date:2022-09-26
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.
Nucleic Acids Res., 51, 2023
1EIF
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BU of 1eif by Molmil
EUKARYOTIC TRANSLATION INITIATION FACTOR 5A FROM METHANOCOCCUS JANNASCHII
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 5A
Authors:Kim, K.K, Hung, L.W, Yokota, H, Kim, R, Kim, S.H.
Deposit date:1998-07-29
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of eukaryotic translation initiation factor 5A from Methanococcus jannaschii at 1.8 A resolution.
Proc.Natl.Acad.Sci.USA, 95, 1998
8C75
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BU of 8c75 by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 3
Descriptor: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6Y
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BU of 8c6y by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 2
Descriptor: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA
Authors:Morera, S, Vigouroux, A, legrand, P.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024

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数据于2025-11-05公开中

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