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8TXT
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BU of 8txt by Molmil
Crystal structure of 05.GC.w13.02 Fab in complex with H5 HA from A/Viet Nam/1203/2004(H5N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_W13B_B, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-24
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
8TY7
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BU of 8ty7 by Molmil
Crystal structure of 05.GC.w2.3C10 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w2_3C10, heavy chain, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-24
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
8TXP
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BU of 8txp by Molmil
Crystal structure of 05.GC.w13.01 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w13_A, Fab heavy chain, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-24
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
3RFJ
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BU of 3rfj by Molmil
Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
Descriptor: Internalin B, repeat modules, Variable lymphocyte receptor, ...
Authors:Kim, H.J, Cheong, H.K, Jeon, Y.H.
Deposit date:2011-04-06
Release date:2012-03-14
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
Proc.Natl.Acad.Sci.USA, 109, 2012
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
2MSY
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BU of 2msy by Molmil
Solution structure of Hox homeodomain
Descriptor: Homeobox protein Hox-C9
Authors:Kim, H, Park, S, Han, J, Lee, B.
Deposit date:2014-08-11
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding.
Biochim.Biophys.Acta, 1854, 2015
8FY7
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BU of 8fy7 by Molmil
SARS-CoV-2 main protease in complex with covalent inhibitor
Descriptor: 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
Authors:Fried, W, Chen, X.S.
Deposit date:2023-01-25
Release date:2023-08-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8FY6
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BU of 8fy6 by Molmil
SARS-CoV-2 main protease in complex with covalent inhibitor
Descriptor: 3C-like proteinase nsp5, Nirmatrelvir (reacted form)
Authors:Fried, W, Chen, X.S.
Deposit date:2023-01-25
Release date:2023-08-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
Descriptor: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
Authors:Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
Deposit date:2021-12-07
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
4NSQ
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BU of 4nsq by Molmil
Crystal structure of PCAF
Descriptor: COENZYME A, Histone acetyltransferase KAT2B
Authors:Lin, J.Y, Cai, Y.F.
Deposit date:2013-11-28
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3108 Å)
Cite:Dimeric structure of p300/CBP associated factor.
Bmc Struct.Biol., 14, 2014
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
Descriptor: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
Authors:McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
Deposit date:2023-02-14
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Combatting melioidosis with chemical synthetic lethality
To Be Published
8G8V
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BU of 8g8v by Molmil
GTP Cyclohydrolase-IB with sodium
Descriptor: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, SODIUM ION, ...
Authors:McWhorter, K.L, Jhunjhunwala, R, Davis, K.M.
Deposit date:2023-02-20
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Combatting melioidosis with chemical synthetic lethality
To Be Published
7UYI
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BU of 7uyi by Molmil
Crystal structure of the computationally optimized broadly reactive H1 influenza hemagglutinin P1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COBRA P1 HA, ...
Authors:Dzimianski, J.V, DuBois, R.M.
Deposit date:2022-05-06
Release date:2023-04-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the broad protection against H1 influenza viruses by a computationally optimized hemagglutinin vaccine.
Commun Biol, 6, 2023
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
Descriptor: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
1CN4
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BU of 1cn4 by Molmil
ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
Descriptor: PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
Authors:Stroud, R.M, Reid, S.W.
Deposit date:1999-05-25
Release date:1999-08-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
6O98
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BU of 6o98 by Molmil
Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
Descriptor: 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma
Authors:Sack, J.S.
Deposit date:2019-03-13
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
ACS Med Chem Lett, 10, 2019
8COH
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BU of 8coh by Molmil
Structure of the complement C5 specific nanobody TPP-3444
Descriptor: CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2023-02-28
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
8COE
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BU of 8coe by Molmil
complement C5 in complex with the LCP0195 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ...
Authors:Andersen, G.R, Pedersen, D.V.
Deposit date:2023-02-28
Release date:2024-01-03
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
6JLA
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BU of 6jla by Molmil
Crystal structure of a mouse ependymin related protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Mammalian ependymin-related protein 1
Authors:Park, S.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of three ependymin-related proteins suggest their function as a hydrophobic molecule binder.
Iucrj, 6, 2019
6JLD
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BU of 6jld by Molmil
Crystal structure of a human ependymin related protein
Descriptor: Mammalian ependymin-related protein 1
Authors:Park, S.Y.
Deposit date:2019-03-05
Release date:2019-07-10
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of three ependymin-related proteins suggest their function as a hydrophobic molecule binder.
Iucrj, 6, 2019
6PSH
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BU of 6psh by Molmil
Crystal structure of periplasmic domain of antiholin RI from T4 phage
Descriptor: 1,2-ETHANEDIOL, Antiholin
Authors:Kuznetsov, V.B, Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-12
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
6PXE
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BU of 6pxe by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in P21
Descriptor: Antiholin, Holin
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-25
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
6PSK
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BU of 6psk by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in P6522
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Antiholin, ...
Authors:Kuznetsov, V.B, Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-12
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
6PX4
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BU of 6px4 by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in H32
Descriptor: Antiholin, Holin
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-24
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
6JL9
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BU of 6jl9 by Molmil
Crystal structure of a frog ependymin related protein
Descriptor: CALCIUM ION, Ependymin-related 1
Authors:Park, S.Y.
Deposit date:2019-03-04
Release date:2019-07-10
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of three ependymin-related proteins suggest their function as a hydrophobic molecule binder.
Iucrj, 6, 2019

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數據於2024-07-10公開中

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