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7O6R
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BU of 7o6r by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with 1H-Indazole
Descriptor: 1H-indazole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-04-12
Release date:2022-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
6GKX
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BU of 6gkx by Molmil
Crystal structure of the R-type bacteriocin tube protein CD1364 from Clostridium difficile in the pre-assembled state
Descriptor: Putative phage XkdM-like protein
Authors:Schwemmlein, N, Pippel, J, Gazdag, E.M, Blankenfeldt, W.
Deposit date:2018-05-22
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of R-Type Bacteriocin Sheath and Tube Proteins CD1363 and CD1364 FromClostridium difficilein the Pre-assembled State.
Front Microbiol, 9, 2018
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
8U7Z
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BU of 8u7z by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: Local Refinment of KCTD5(CTD)/Gbeta1gamma2
Descriptor: BTB/POZ domain-containing protein KCTD5, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
8TKL
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BU of 8tkl by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with a Test 16-mer kappaB-like DNA
Descriptor: Nuclear factor NF-kappa-B p50 subunit, Test 17-mer kappaB-like DNA
Authors:Mitchel, S, Mealka, M, Rogers, W.E, Milani, C, Acuna, L.M, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
7OAD
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BU of 7oad by Molmil
conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form II
Descriptor: General control transcription factor GCN4,conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A,General control transcription factor GCN4
Authors:Adlakha, J, Albrecht, R, Hartmann, M.D.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form II
To Be Published
1Z34
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BU of 1z34 by Molmil
Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine
Descriptor: 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL, purine nucleoside phosphorylase
Authors:Zhang, Y, Wang, W.H, Wu, S.W, Wang, C.C, Ealick, S.E.
Deposit date:2005-03-10
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex.
J.Biol.Chem., 280, 2005
7OCY
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BU of 7ocy by Molmil
Enterococcus faecalis EfrCD in complex with a nanobody
Descriptor: ABC transporter ATP-binding protein, Nanobody
Authors:Ehrenbolger, K, Hutter, C.A.J, Meier, G, Seeger, M.A, Barandun, J.
Deposit date:2021-04-28
Release date:2022-05-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Deep mutational scan of a drug efflux pump reveals its structure-function landscape.
Nat.Chem.Biol., 19, 2023
6DR2
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BU of 6dr2 by Molmil
Ca2+-bound human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-07-18
Last modified:2018-08-15
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
1Z3N
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BU of 1z3n by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor lidorestat at 1.04 angstrom
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase, {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID
Authors:Van Zandt, M.C, Jones, M.L, Gunn, D.E, Geraci, L.S, Jones, J.H, Sawicki, D.R, Sredy, J, Jacot, J.L, Dicioccio, A.T, Petrova, T, Mitschler, A, Podjarny, A.D.
Deposit date:2005-03-14
Release date:2006-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications
J.Med.Chem., 48, 2005
6DXR
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BU of 6dxr by Molmil
Structure of the Monoclinic-2 (Monocl-2) Crystal Form of Human Apolipoprotein C1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Apolipoprotein C-I
Authors:McPherson, A.
Deposit date:2018-06-29
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
7QY2
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BU of 7qy2 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2
Descriptor: (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
4MNJ
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BU of 4mnj by Molmil
Crystal Structure of GH18 Chitinase from Cycad, Cycas revoluta
Descriptor: ACETATE ION, Chitinase A
Authors:Umemoto, N, Numata, T, Ohnuma, T, Osawa, T, Taira, T, Fukamizo, T.
Deposit date:2013-09-11
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of GH18 Chitinase from Cycad, Cycas revoluta
To be Published
7Q62
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BU of 7q62 by Molmil
Structure of TEV cleaved A2ML1 dimer (A2ML1-TT dimer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin-like protein 1
Authors:Nielsen, N.S, Zarantonello, A, Andersen, G.R.
Deposit date:2021-11-05
Release date:2022-04-20
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
8TKN
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BU of 8tkn by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter
Descriptor: DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
8U81
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BU of 8u81 by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: State A From Composite RELION Multi-body Refinement Map
Descriptor: BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
6GFZ
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BU of 6gfz by Molmil
pVHL:EloB:EloC in complex with modified VH032 containing (3S,4S)-3-fluoro-4-hydroxyproline (ligand 14b)
Descriptor: (2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Gadd, M.S, Testa, A, Ciulli, A.
Deposit date:2018-05-02
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
3W10
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BU of 3w10 by Molmil
Aurora kinase A complexed to pyrazole aminoquinoline I
Descriptor: 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-06
Release date:2014-02-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
1ZMD
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BU of 1zmd by Molmil
Crystal Structure of Human dihydrolipoamide dehydrogenase complexed to NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Brautigam, C.A, Chuang, J.L, Tomchick, D.R, Machius, M, Chuang, D.T.
Deposit date:2005-05-10
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structure of Human Dihydrolipoamide Dehydrogenase: NAD+/NADH Binding and the Structural Basis of Disease-causing Mutations
J.Mol.Biol., 350, 2005
6D5B
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BU of 6d5b by Molmil
Structure of Caldicellulosiruptor danielii CBM3 module of glycoside hydrolase WP_045175321
Descriptor: CALCIUM ION, glycoside hydrolase WP_045175321
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-04-19
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
AIChE J., 2019
6GH0
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BU of 6gh0 by Molmil
Two-quartet kit* G-quadruplex is formed via double-stranded pre-folded structure
Descriptor: DNA (5'-D(*GP*GP*CP*GP*AP*GP*GP*AP*GP*GP*GP*GP*CP*GP*TP*GP*GP*CP*CP*GP*GP*C)-3')
Authors:Kotar, A, Rigo, R, Sissi, C, Plavec, J.
Deposit date:2018-05-04
Release date:2019-01-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Two-quartet kit* G-quadruplex is formed via double-stranded pre-folded structure.
Nucleic Acids Res., 47, 2019
8TKM
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BU of 8tkm by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter
Descriptor: 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
6DUR
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BU of 6dur by Molmil
Citrobacter freundii tyrosine phenol-lyase complexed with L-phenylalanine
Descriptor: (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid, (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Phillips, R.S.
Deposit date:2018-06-21
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Wild-Type and F448A Mutant Citrobacter freundii Tyrosine Phenol-Lyase Complexed with a Substrate and Inhibitors: Implications for the Reaction Mechanism.
Biochemistry, 57, 2018
4MIV
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BU of 4miv by Molmil
Crystal Structure of Sulfamidase, Crystal Form L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Sidhu, N.S, Uson, I, Schreiber, K, Proepper, K, Becker, S, Sheldrick, G.M, Gaertner, J, Kraetzner, R, Steinfeld, R.
Deposit date:2013-09-02
Release date:2014-05-14
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of sulfamidase provides insight into the molecular pathology of mucopolysaccharidosis IIIA.
Acta Crystallogr.,Sect.D, 70, 2014
8U82
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BU of 8u82 by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: State B From Composite RELION Multi-body Refinement Map
Descriptor: BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024

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數據於2024-09-25公開中

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