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8EVO
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BU of 8evo by Molmil
Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitor FG2216
Descriptor: Alpha-ketoglutarate-dependent sulfate ester dioxygenase, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, NICKEL (II) ION
Authors:Juan, T.-J, Leung, I, Squire, C.J.
Deposit date:2022-10-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216
To Be Published
8ET0
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BU of 8et0 by Molmil
Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ...
Authors:Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J.
Deposit date:2022-10-15
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9
To Be Published
8EO6
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BU of 8eo6 by Molmil
Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 Angstrom resolution
Descriptor: ACYLATED CEFTAZIDIME, LRA-5
Authors:Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
Deposit date:2022-10-02
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
8EI7
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BU of 8ei7 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H304, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI2
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BU of 8ei2 by Molmil
Crystal structure of the N-terminal domain of CUL5 in complex with H314, a Helicon Polypeptide
Descriptor: Cullin-5, H314, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8OKJ
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BU of 8okj by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12
Descriptor: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
Authors:Brynda, J, Rezacova, P.M, Kudova, E.
Deposit date:2023-03-28
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
5LFX
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BU of 5lfx by Molmil
Lambda-[Ru(phen)2(dppz-11,12-Me)]2+ bound to a short substituted DNA sequence
Descriptor: BARIUM ION, DNA (5'-D(*(CBR)P*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*G)-3'), ...
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2016-07-04
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Guanine Can Direct Binding Specificity of Ru-dipyridophenazine (dppz) Complexes to DNA through Steric Effects.
Chemistry, 23, 2017
8EIC
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BU of 8eic by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H330, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H330, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8OLF
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BU of 8olf by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982
Descriptor: Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Authors:Brynda, J, Rezacova, P.M, Kudova, E.
Deposit date:2023-03-30
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
6XKR
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BU of 6xkr by Molmil
Structure of Sasanlimab Fab in complex with PD-1
Descriptor: GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ...
Authors:Kimberlin, C.R, Chin, S.M.
Deposit date:2020-06-27
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody.
Mol.Cancer Ther., 19, 2020
8EIB
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BU of 8eib by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H329, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H329, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.76 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8OLP
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BU of 8olp by Molmil
Y345F/F347Y Variant of Dye Type Peroxidase Aa (DtpAa) from Streptomyces lividans
Descriptor: Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A.
Deposit date:2023-03-30
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Y345F Variant of Dye Type Peroxidase Aa (DtpAa) from Streptomyces lividans
To Be Published
5LHA
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BU of 5lha by Molmil
Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PMP-bound form
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, OMEGA TRANSAMINASE
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2016-07-10
Release date:2017-03-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Explaining Operational Instability of Amine Transaminases: Substrate-Induced Inactivation Mechanism and Influence of Quaternary Structure on Enzyme-Cofactor Intermediate Stability.
Acs Catalysis, 7, 2017
8EL5
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BU of 8el5 by Molmil
Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in an alternating tight to loose interface filament
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOERYTHROBILIN, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2022-09-23
Release date:2023-10-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 2023
8EL4
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BU of 8el4 by Molmil
Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in a tight interface filament
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, PHYCOERYTHROBILIN, Phycoerythrin alpha-1 subunit, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2022-09-23
Release date:2023-10-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 2023
5LCC
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BU of 5lcc by Molmil
Oceanobacillus iheyensis macrodomain mutant D40A
Descriptor: MACROD-TYPE MACRODOMAIN
Authors:Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
Deposit date:2016-06-20
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
8EHZ
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BU of 8ehz by Molmil
Crystal structure of the STUB1 TPR domain in complex with H317, a Helicon Polypeptide
Descriptor: E3 ubiquitin-protein ligase CHIP, H317, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI0
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BU of 8ei0 by Molmil
Crystal structure of the STUB1 TPR domain in complex with H318, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, H318, ...
Authors:Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8OXG
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BU of 8oxg by Molmil
Crystal structure of human methionine aminopeptidase-2 complexed with (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate
Descriptor: MANGANESE (II) ION, Methionine aminopeptidase 2, [(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate
Authors:Moss, S, Cornelius, P.
Deposit date:2023-05-02
Release date:2024-04-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Pharmacological Characterization of SDX-7320/Evexomostat: A Novel Methionine Aminopeptidase Type 2 Inhibitor with Anti-tumor and Anti-metastatic Activity.
Mol.Cancer Ther., 23, 2024
8EI3
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BU of 8ei3 by Molmil
Crystal structure of VHL in complex with H313, a Helicon Polypeptide
Descriptor: Elongin-B, Elongin-C, H313, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI6
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BU of 8ei6 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H305, a Helicon Polypeptide
Descriptor: H305, N,N'-(1,4-phenylene)diacetamide, NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
5M1O
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BU of 5m1o by Molmil
Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Cobalt
Descriptor: COBALT (II) ION, Phage terminase large subunit
Authors:Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A.
Deposit date:2016-10-09
Release date:2016-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
8EI5
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BU of 8ei5 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H301, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, H301, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EU1
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BU of 8eu1 by Molmil
Ancestral PETase 35_442 Mutant F93L
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Ancestral PETase 35_442 Mutant F93L
To Be Published
5LIV
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BU of 5liv by Molmil
Crystal structure of myxobacterial CYP260A1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ...
Authors:Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D.
Deposit date:2016-07-15
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016

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数据于2024-08-28公开中

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