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4M9T
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BU of 4m9t by Molmil
NS2B-NS3 protease from dengue virus in the presence of DTNB, a covalent allosteric inhibitor
Descriptor: CHLORIDE ION, NS2B-NS3 protease
Authors:Bell, J.A, Yildiz, M, Hardy, J.A.
Deposit date:2013-08-15
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
6CLU
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BU of 6clu by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
Descriptor: Dihydropteroate synthase
Authors:Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
Deposit date:2018-03-02
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
6QZI
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BU of 6qzi by Molmil
Crystal structure of human Aquaporin 7 at 1.9 A resolution
Descriptor: Aquaporin-7, GLYCEROL, PHOSPHATE ION
Authors:de Mare, S.W.-H, Venskutonyte, R, Eltschkner, S, Lindkvist-Petersson, K.
Deposit date:2019-03-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Glycerol Efflux and Selectivity of Human Aquaporin 7.
Structure, 28, 2020
6CBA
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BU of 6cba by Molmil
Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and canavanine
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L-CANAVANINE, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2018-02-02
Release date:2019-02-06
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 2024
4LZF
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BU of 4lzf by Molmil
A novel domain in the microcephaly protein CPAP suggests a role in centriole architecture
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal P4.1-associated protein, SCL-interrupting locus protein homolog, ...
Authors:Hatzopoulos, G.N, Erat, M.C, Cutts, E, Rogala, K, Slatter, L, Stansfeld, P.J, Vakonakis, I.
Deposit date:2013-07-31
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural analysis of the G-box domain of the microcephaly protein CPAP suggests a role in centriole architecture.
Structure, 21, 2013
6CBI
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BU of 6cbi by Molmil
PCNA in complex with inhibitor
Descriptor: GLY-ARG-LYS-ARG-ARG-GLN-DAB-SER-MET-THR-GLU-PHE-TYR-HIS, Proliferating cell nuclear antigen, SULFATE ION
Authors:Bruning, J.B, Wegener, K.L.
Deposit date:2018-02-03
Release date:2018-07-04
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
6OHE
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BU of 6ohe by Molmil
Alpha-L-fucosidase AlfC D200A in complex with Fuca(1,6)GlcNAc
Descriptor: AlfC, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
4MAZ
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BU of 4maz by Molmil
The Structure of MalL mutant enzyme V200S from Bacillus subtilus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L.
Deposit date:2013-08-18
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates.
Acs Chem.Biol., 8, 2013
4MB1
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BU of 4mb1 by Molmil
The Structure of MalL mutant enzyme G202P from Bacillus subtilus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Oligo-1,6-glucosidase 1
Authors:Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L.
Deposit date:2013-08-19
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates.
Acs Chem.Biol., 8, 2013
6OH8
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BU of 6oh8 by Molmil
Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in the dimeric form
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase
Authors:Centeno-Leija, S, Serrano-Posada, H.
Deposit date:2019-04-04
Release date:2019-04-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019
6R2G
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BU of 6r2g by Molmil
Crystal structure of a single-chain protein mimetic of the gp41 NHR trimer in complex with the synthetic CHR peptide C34
Descriptor: Envelope glycoprotein gp160, PHOSPHATE ION, Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41
Authors:Camara-Artigas, A, Conejero-Lara, F, Jurado, S, Cano-Munoz, M, Morel, B.
Deposit date:2019-03-17
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Thermodynamic Analysis of HIV-1 Fusion Inhibition Using Small gp41 Mimetic Proteins.
J.Mol.Biol., 431, 2019
6OQ1
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BU of 6oq1 by Molmil
Crystal Structure of Branched K11/K48-Linked Tri-Ubiquitin
Descriptor: Ubiquitin
Authors:Boughton, A.J, Fushman, D.
Deposit date:2019-04-25
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Branching via K11 and K48 Bestows Ubiquitin Chains with a Unique Interdomain Interface and Enhanced Affinity for Proteasomal Subunit Rpn1.
Structure, 28, 2020
6R6U
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BU of 6r6u by Molmil
Crystal structure of human cis-aconitate decarboxylase
Descriptor: (R,R)-2,3-BUTANEDIOL, Cis-aconitate decarboxylase, SODIUM ION
Authors:Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
Deposit date:2019-03-28
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R2Q
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BU of 6r2q by Molmil
Structure of the Mtr complex
Descriptor: CALCIUM ION, Cystathionine beta-synthase, Decaheme c-type cytochrome, ...
Authors:Clarke, T.A, Edwards, M.J.
Deposit date:2019-03-18
Release date:2020-04-22
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:The Crystal Structure of a Biological Insulated Transmembrane Molecular Wire.
Cell, 181, 2020
6RAA
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BU of 6raa by Molmil
CLK1 Kinase domain with bound imidazopyridin inhibitor TP003
Descriptor: 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK1
Authors:Schroeder, M, Arrowsmith, C, Knapp, S, Bountra, C, Edwards, A, Structural Genomics Consortium (SGC)
Deposit date:2019-04-05
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CLK1 Kinase domain with bound imidazopyridin inhibitor TP003
To Be Published
6RBI
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BU of 6rbi by Molmil
Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
Descriptor: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
Authors:Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-04-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
6RB1
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BU of 6rb1 by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1
Descriptor: (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
4OE9
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BU of 4oe9 by Molmil
The crystal structure of the n-terminal domain of COMMD9
Descriptor: CITRIC ACID, COMM domain-containing protein 9, POTASSIUM ION
Authors:Hospenthal, M, Celligoi, D, Lott, J.S.
Deposit date:2014-01-12
Release date:2015-03-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into the architecture and membrane interactions of the conserved COMMD proteins.
Elife, 7, 2018
4OCT
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BU of 4oct by Molmil
Crystal structure of human ALKBH5 crystallized in the presence of Mn^{2+} and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5, ...
Authors:Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-01-09
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
6RCB
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BU of 6rcb by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14
Descriptor: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, Casein kinase II subunit alpha, SULFATE ION
Authors:Dalle Vedove, A, Lolli, G.
Deposit date:2019-04-11
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
4OHQ
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BU of 4ohq by Molmil
Crystal structure of chloroplast triose phosphate isomerase from Arabidopsis thaliana
Descriptor: Triosephosphate isomerase, chloroplastic
Authors:Lara-Gonzalez, S, Lopez-Castillo, M, Brieba, L.G.
Deposit date:2014-01-17
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for Redox Regulation of Cytoplasmic and Chloroplastic Triosephosphate Isomerases from Arabidopsis thaliana.
Front Plant Sci, 7, 2016
4M9F
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BU of 4m9f by Molmil
Dengue virus NS2B-NS3 protease A125C variant at pH 8.5
Descriptor: NS2B-NS3 protease
Authors:Yildiz, M, Ghosh, S, Bell, J.A, Sherman, W, Hardy, J.A.
Deposit date:2013-08-14
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
6DCD
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BU of 6dcd by Molmil
Mycobacterium marinum cytochrome P450 CYP150A6 in the substrate-free form
Descriptor: Cytochrome P450 150A6 Cyp150A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Child, S.A, Bruning, J.B, Bell, S.G.
Deposit date:2018-05-05
Release date:2019-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The characterisation of two members of the cytochrome P450 CYP150 family: CYP150A5 and CYP150A6 from Mycobacterium marinum.
Biochim Biophys Acta Gen Subj, 1863, 2019
6DXA
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BU of 6dxa by Molmil
Crystal structure of chalcone synthase from Pinus sylvestris
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
4M9I
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BU of 4m9i by Molmil
A125C NS2B-NS3 protease from dengue virus at pH 5.5
Descriptor: NS2B-NS3 protease
Authors:Yildiz, M, Hardy, J.A.
Deposit date:2013-08-14
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013

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數據於2024-07-17公開中

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