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6FAD
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BU of 6fad by Molmil
SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27
分子名称: PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor
著者Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P.
登録日2017-12-15
公開日2019-09-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27.
Mbio, 10, 2019
6BET
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BU of 6bet by Molmil
Solution structure of de novo macrocycle design12_ss
分子名称: H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6B5W
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BU of 6b5w by Molmil
Benenodin-1-dC5, state 2
分子名称: Benenodin-1
著者Link, A.J, Zong, C.
登録日2017-09-29
公開日2017-10-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Lasso Peptide Benenodin-1 Is a Thermally Actuated [1]Rotaxane Switch
J. Am. Chem. Soc., 139 (30), 2017
6BF5
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BU of 6bf5 by Molmil
Solution structure of de novo macrocycle design7.3a
分子名称: QDP(DPR)K(DTH)(DAS)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2018-01-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BER
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BU of 6ber by Molmil
Solution structure of de novo macrocycle design10.2
分子名称: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEO
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BU of 6beo by Molmil
Solution structure of de novo macrocycle design9.1
分子名称: (DPR)PY(DHI)PKDL(DGN)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEQ
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BU of 6beq by Molmil
Solution structure of de novo macrocycle design10.1
分子名称: AAR(DVA)(DPR)R(DLE)(DTH)PE
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2018-01-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BE9
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BU of 6be9 by Molmil
Solution structure of de novo macrocycle design7.1
分子名称: T(DLY)NDT(DSG)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
登録日2017-10-24
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEU
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BU of 6beu by Molmil
Solution structure of de novo macrocycle design14_ss
分子名称: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6FAU
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BU of 6fau by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 4.2e-I with 14-3-3sigma
分子名称: (2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2017-12-18
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
6FI4
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BU of 6fi4 by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 3.2e with 14-3-3sigma
分子名称: (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CALCIUM ION, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2018-01-17
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
6FGS
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BU of 6fgs by Molmil
Solution structure of p300Taz2-p73TA1
分子名称: Histone acetyltransferase p300,Tumor protein p73, ZINC ION
著者Gebel, J, Kazemi, S, Lohr, F, Guntert, P, Dotsch, V.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Regulation of the Activity in the p53 Family Depends on the Organization of the Transactivation Domain.
Structure, 26, 2018
6EY3
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BU of 6ey3 by Molmil
mf2
分子名称: CYS-ARG-PRO-LEU-TRP-THR-ALA-CYS-GLY
著者Calvanese, L, Falcigno, L, D'Auria, G, Coppola, F.
登録日2017-11-10
公開日2018-01-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献mf2
To Be Published
6F3O
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BU of 6f3o by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa complexed with adenine, K+ and Zn2+ cations
分子名称: ADENINE, Adenosylhomocysteinase, GLYCEROL, ...
著者Czyrko, J, Brzezinski, K.
登録日2017-11-28
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Sci Rep, 8, 2018
6CDN
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BU of 6cdn by Molmil
Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2018-02-08
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6EYM
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BU of 6eym by Molmil
Neutron crystal structure of perdeuterated galectin-3C in complex with lactose
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T.
登録日2017-11-13
公開日2018-09-12
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
6F7U
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BU of 6f7u by Molmil
Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase
分子名称: Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular mechanism of ATP versus GTP selectivity of adenylate kinase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6COW
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BU of 6cow by Molmil
CSP1
分子名称: Competence-stimulating peptide type 1
著者Yang, Y.
登録日2018-03-12
公開日2018-08-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae.
Biochemistry, 57, 2018
6FAV
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BU of 6fav by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-I with 14-3-3sigma
分子名称: (2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2017-12-18
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
6FBY
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BU of 6fby by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma
分子名称: (2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2017-12-20
公開日2018-05-16
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
6CKQ
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BU of 6ckq by Molmil
Solution structure of the Burkholderia thailandensis transcription antitermination protein NusB (BTH_I1529) - Seattle Structural Genomics Center for Infectious Disease target ButhA.17903.a
分子名称: Transcription antitermination protein NusB
著者Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-02-28
公開日2018-04-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the Burkholderia thailandensis transcription antitermination protein NusB (BTH_I1529).
To Be Published
6COS
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BU of 6cos by Molmil
CSP1-f11
分子名称: Competence-stimulating peptide type 1
著者Yang, Y.
登録日2018-03-12
公開日2018-08-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae.
Biochemistry, 57, 2018
6FI5
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BU of 6fi5 by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma
分子名称: (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2018-01-17
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
6CFN
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BU of 6cfn by Molmil
Crystal Structure of the DNA-free Glucocorticoid Receptor DNA Binding Domain
分子名称: Glucocorticoid receptor, ZINC ION
著者Frank, F, Okafor, C.D, Ortlund, E.A.
登録日2018-02-15
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The first crystal structure of a DNA-free nuclear receptor DNA binding domain sheds light on DNA-driven allostery in the glucocorticoid receptor.
Sci Rep, 8, 2018
6CMR
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BU of 6cmr by Molmil
Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
登録日2018-03-06
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018

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