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1XRJ
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BU of 1xrj by Molmil
Rapid structure determination of human uridine-cytidine kinase 2 using a conventional laboratory X-ray source and a single samarium derivative
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Appleby, T.C, Larson, G, Wu, J.Z, Cheney, I.W, Hong, Z, Yao, N.
Deposit date:2004-10-14
Release date:2005-03-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human uridine-cytidine kinase 2 determined by SIRAS using a rotating-anode X-ray generator and a single samarium derivative.
Acta Crystallogr.,Sect.D, 61, 2005
1TP7
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BU of 1tp7 by Molmil
Crystal Structure of the RNA-dependent RNA Polymerase from Human Rhinovirus 16
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Genome polyprotein, SULFATE ION
Authors:Appleby, T.C, Luecke, H, Shim, J.H, Wu, J.Z, Cheney, I.W, Zhong, W, Vogeley, L, Hong, Z, Yao, N.
Deposit date:2004-06-15
Release date:2005-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of complete rhinovirus RNA polymerase suggests front loading of protein primer.
J.Virol., 79, 2005
5GMZ
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BU of 5gmz by Molmil
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
Descriptor: (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2016-07-18
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
7U8P
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BU of 7u8p by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8R
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BU of 7u8r by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8O
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BU of 7u8o by Molmil
Structure of porcine V-ATPase with mEAK7 and SidK, Rotary state 2
Descriptor: ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, Bacterial effector protein SidK, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8Q
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BU of 7u8q by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
3RT0
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BU of 3rt0 by Molmil
Crystal structure of PYL10-HAB1 complex in the absence of abscisic acid (ABA)
Descriptor: Abscisic acid receptor PYL10, MAGNESIUM ION, Protein phosphatase 2C 16
Authors:Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
3RT2
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BU of 3rt2 by Molmil
Crystal structure of apo-PYL10
Descriptor: Abscisic acid receptor PYL10
Authors:Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
2O5D
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BU of 2o5d by Molmil
Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study
Descriptor: (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE, HCV
Authors:Yao, N.
Deposit date:2006-12-05
Release date:2007-02-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study.
Bioorg.Med.Chem.Lett., 17, 2007
2OBJ
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BU of 2obj by Molmil
Crystal structure of human PIM-1 Kinase in complex with inhibitor
Descriptor: 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Yao, N, Cheney, I.W, Yan, S.
Deposit date:2006-12-19
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
2HWH
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BU of 2hwh by Molmil
HCV NS5B allosteric inhibitor complex
Descriptor: 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE, RNA-directed RNA polymerase (NS5B) (p68)
Authors:Yao, N.
Deposit date:2006-08-01
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HWI
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BU of 2hwi by Molmil
HCV NS5B allosteric inhibitor complex
Descriptor: (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID, RNA-directed RNA polymerase (NS5B) (p68)
Authors:Yao, N.
Deposit date:2006-08-01
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2I1R
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BU of 2i1r by Molmil
Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure
Descriptor: (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE, RNA-directed RNA polymerase (NS5B) (P68)
Authors:Yao, N, Yan, S.
Deposit date:2006-08-14
Release date:2006-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure.
Bioorg.Med.Chem.Lett., 17, 2007
2IJN
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BU of 2ijn by Molmil
Isothiazoles as active-site inhibitors of HCV NS5B polymerase
Descriptor: (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE, RNA polymerase NS5B
Authors:Yan, S, Yao, N.
Deposit date:2006-09-29
Release date:2006-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isothiazoles as active-site inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 17, 2007

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