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6XVK
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BU of 6xvk by Molmil
Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-22
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6XVA
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Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6XV9
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BU of 6xv9 by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6LDS
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BU of 6lds by Molmil
Structure of a K245A mutant of L-tyrosine decarboxylase from Methanocaldococcus jannaschii complexed with L-Tyr: External aldimine form
Descriptor: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine, ...
Authors:Manoj, N, Gayathri, S.C.
Deposit date:2019-11-23
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the mechanism of internal aldimine formation and catalytic loop dynamics in an archaeal Group II decarboxylase.
J.Struct.Biol., 208, 2019
6XVB
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BU of 6xvb by Molmil
Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
5B2P
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BU of 5b2p by Molmil
Crystal structure of Francisella novicida Cas9 in complex with sgRNA and target DNA (TGA PAM)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O.
Deposit date:2016-02-01
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
3ICX
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BU of 3icx by Molmil
Crystal structure of Sulfolobus solfataricus Nop5 (135-380)
Descriptor: Pre mRNA splicing protein, SULFATE ION
Authors:Ye, K.
Deposit date:2009-07-19
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural organization of box C/D RNA-guided RNA methyltransferase.
Proc.Natl.Acad.Sci.USA, 106, 2009
2RQL
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BU of 2rql by Molmil
Solution structure of the E. coli ribosome hibernation promoting factor HPF
Descriptor: Probable sigma-54 modulation protein
Authors:Sato, A, Mishima, M.
Deposit date:2009-08-13
Release date:2010-02-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the E. coli ribosome hibernation promoting factor HPF: Implications for the relationship between structure and function.
Biochem.Biophys.Res.Commun., 389, 2009
6JC3
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BU of 6jc3 by Molmil
The Cryo-EM structure of nucleoprotein-RNA complex of Newcastle disease virus
Descriptor: Nucleocapsid, polyU
Authors:Song, X, Shan, H, Zhu, Y, Ding, W, Ouyang, S, Shen, Q.T, Liu, Z.J.
Deposit date:2019-01-28
Release date:2019-08-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Self-capping of nucleoprotein filaments protects the Newcastle disease virus genome.
Elife, 8, 2019
6JQ6
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BU of 6jq6 by Molmil
Hatchet Ribozyme Structure soaking with Ir(NH3)6+
Descriptor: IRIDIUM HEXAMMINE ION, RNA (81-MER)
Authors:Ren, A, Zheng, L.
Deposit date:2019-03-29
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.626 Å)
Cite:Hatchet ribozyme structure and implications for cleavage mechanism.
Proc.Natl.Acad.Sci.USA, 116, 2019
8ASW
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BU of 8asw by Molmil
Cryo-EM structure of yeast Elp123 in complex with alanine tRNA
Descriptor: 5'-DEOXYADENOSINE, Alanine tRNA, Elongator complex protein 1, ...
Authors:Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
Deposit date:2022-08-21
Release date:2022-12-07
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
1G6Q
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BU of 1g6q by Molmil
CRYSTAL STRUCTURE OF YEAST ARGININE METHYLTRANSFERASE, HMT1
Descriptor: HNRNP ARGININE N-METHYLTRANSFERASE
Authors:Weiss, V.H, McBride, A.E, Soriano, M.A, Filman, D.J, Silver, P.A, Hogle, J.M.
Deposit date:2000-11-07
Release date:2000-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure and oligomerization of the yeast arginine methyltransferase, Hmt1.
Nat.Struct.Biol., 7, 2000
6NM5
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BU of 6nm5 by Molmil
F-pilus/MS2 Maturation protein complex
Descriptor: (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate, Maturation protein, Type IV conjugative transfer system pilin TraA
Authors:Meng, R, Chang, J, Zhang, J.
Deposit date:2019-01-10
Release date:2019-07-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural basis for the adsorption of a single-stranded RNA bacteriophage.
Nat Commun, 10, 2019
7Y8Y
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BU of 7y8y by Molmil
Structure of Cas7-11-crRNA-tgRNA in complex with TPR-CHAT
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (37-MER), ...
Authors:Wang, S, Guo, M, Zhu, Y, Huang, Z.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of the type III-E CRISPR-Cas effector gRAMP in complex with TPR-CHAT.
Cell Res., 32, 2022
5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
Authors:Arora, R, Benson, T.E.
Deposit date:2016-05-23
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
2P40
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BU of 2p40 by Molmil
Crystal Structure of Dengue Methyltransferase in Complex with 7MeGpppG
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, SULFATE ION, type II methyltransferase
Authors:Egloff, M.P, Marseilles Structural Genomics Program @ AFMB (MSGP)
Deposit date:2007-03-11
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structural and functional analysis of methylation and 5'-RNA sequence requirements of short capped RNAs by the methyltransferase domain of dengue virus NS5
J.Mol.Biol., 372, 2007
6KQR
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BU of 6kqr by Molmil
A pre-assembled molecular-helical Cascade backbone of Csy3 subunits from Zymomonas mobilis
Descriptor: CRISPR-associated protein Csy3 family
Authors:Gu, D.H, Ha, S.C, Kim, J.S.
Deposit date:2019-08-18
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:A CRISPR RNA Is Closely Related With the Size of the Cascade Nucleoprotein Complex.
Front Microbiol, 10, 2019
5B2Q
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BU of 5b2q by Molmil
Crystal structure of Francisella novicida Cas9 RHA in complex with sgRNA and target DNA (TGG PAM)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O.
Deposit date:2016-02-01
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
6JQ5
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BU of 6jq5 by Molmil
The structure of Hatchet Ribozyme
Descriptor: MAGNESIUM ION, RNA (82-MER)
Authors:Ren, A, Zheng, L.
Deposit date:2019-03-29
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:Hatchet ribozyme structure and implications for cleavage mechanism.
Proc.Natl.Acad.Sci.USA, 116, 2019
5B2O
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BU of 5b2o by Molmil
Crystal structure of Francisella novicida Cas9 in complex with sgRNA and target DNA (TGG PAM)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O.
Deposit date:2016-02-01
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
7XWZ
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BU of 7xwz by Molmil
Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ...
Authors:Luan, X.D, Li, X.M, Li, Y.F.
Deposit date:2022-05-27
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
1LUU
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BU of 1luu by Molmil
NMR SOLUTION STRUCTURE OF THE ANTICODON OF YEAST TRNA-PHE WITH 4 MODIFICATIONS (OMC32 OMG34 1MG37 5MC40)
Descriptor: 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*(1MG)P*AP*UP*(5MC)P*UP*GP*G)-3'
Authors:Stuart, J.W, Koshlap, K.M, Guenther, R.H, Agris, P.F.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Naturally-occurring Modification Restricts the Anticodon Domain Conformational Space of tRNA(Phe).
J.Mol.Biol., 334, 2003
1LUX
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BU of 1lux by Molmil
NMR SOLUTION STRUCTURE OF THE ANTICODON OF YEAST TRNA-PHE WITH 3 MODIFICATIONS (OMC32 OMG34 M5C40)
Descriptor: 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3'
Authors:Stuart, J.W, Koshlap, K.M, Guenther, R.H, Agris, P.F.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Naturally-occurring Modification Restricts the Anticodon Domain Conformational Space of tRNA(Phe).
J.Mol.Biol., 334, 2003
7DFR
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BU of 7dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bystroff, C, Oatley, S.J, Kraut, J.
Deposit date:1988-10-21
Release date:1990-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state.
Biochemistry, 29, 1990
6LTP
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BU of 6ltp by Molmil
Crystal structure of Cas12i2 binary complex
Descriptor: Cas12i2, crRNA (56-mer RNA)
Authors:Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
Deposit date:2020-01-23
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020

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数据于2024-07-17公开中

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