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2QMG
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BU of 2qmg by Molmil
Structure of BACE Bound to SCH745966
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
著者Strickland, C.O, Iserloh, U.
登録日2007-07-16
公開日2008-03-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
2R0K
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BU of 2r0k by Molmil
Protease domain of HGFA with inhibitor Fab58
分子名称: Hepatocyte growth factor activator, antibody heavy chain of Fab58, Fab portion only, ...
著者Eigenbrot, C, Shia, S.
登録日2007-08-20
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3OK9
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BU of 3ok9 by Molmil
Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2010-08-24
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.
Chemmedchem, 5, 2010
2QU0
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BU of 2qu0 by Molmil
Crystal structure determination of sheep methemoglobin at 2.7 Angstrom resolution
分子名称: Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Neelagandan, K, Sathya Moorthy, Pon, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N.
登録日2007-08-03
公開日2008-08-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure determination of sheep(Ovis aries) methemoglobin at 2.7 angstrom resolution
To be Published
7VSY
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BU of 7vsy by Molmil
Pim1 with N82K mutation
分子名称: Serine/threonine-protein kinase pim-1
著者Hsu, C.Y, Tzeng, S.R.
登録日2021-10-27
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Pim1 with N82K mutation
To Be Published
2QVD
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BU of 2qvd by Molmil
Identification of a potent anti-inflammatory agent from the natural extract of plant Cardiospermun helicacabum: Crystal structure of the complex of phospholipase A2 with Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy at 1.93 A resolution
分子名称: BERBERINE, Phospholipase A2 VRV-PL-VIIIa
著者Kumar, S, Chandra, D.N, Singh, N, Jithesh, O, Sharma, S, Haridas, M, Singh, T.P.
登録日2007-08-08
公開日2007-08-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of a novel and potent inhibitor of phospholipase A(2) in a medicinal plant: crystal structure at 1.93A and Surface Plasmon Resonance analysis of phospholipase A(2) complexed with berberine
Biochim.Biophys.Acta, 1814, 2011
2R38
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I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor
分子名称: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-29
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
2QVG
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The crystal structure of a two-component response regulator from Legionella pneumophila
分子名称: Two component response regulator
著者Tyagi, R, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-08-08
公開日2007-08-28
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of a two-component response regulator from Legionella pneumophila.
To be Published
3OU3
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BU of 3ou3 by Molmil
MDR769 HIV-1 protease complexed with PR/RT hepta-peptide
分子名称: HIV-1 protease, PR/RT substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OUC
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BU of 3ouc by Molmil
MDR769 HIV-1 protease complexed with p2/NC hepta-peptide
分子名称: MDR HIV-1 protease, p2/NC substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
2QWB
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BU of 2qwb by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF SIALIC ACID AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Varghese, J.N.
登録日1998-04-07
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
3OU4
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BU of 3ou4 by Molmil
MDR769 HIV-1 protease complexed with TF/PR hepta-peptide
分子名称: HIV-1 protease, TF/PR substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
2QWP
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BU of 2qwp by Molmil
Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #2
分子名称: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
登録日2007-08-10
公開日2007-12-18
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
2QXY
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BU of 2qxy by Molmil
Crystal structure of a response regulator from Thermotoga maritima
分子名称: Response regulator, SULFATE ION
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-08-13
公開日2007-08-28
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a response regulator from Thermotoga maritima.
To be Published
2QHY
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BU of 2qhy by Molmil
Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
3OY4
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BU of 3oy4 by Molmil
Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir.
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 PROTEASE, ...
著者Schiffer, C.A, Nalivaika, E.A, Bandaranayake, R.M.
登録日2010-09-22
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir.
To be Published
3OZQ
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BU of 3ozq by Molmil
Crystal structure of Serpin48, which is a highly specific serpin in the insect Tenebrio molitor
分子名称: Serpin48
著者Park, S.H, Piao, S, Ha, N.-C.
登録日2010-09-27
公開日2010-10-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional characterization of a highly specific serpin in the insect innate immunity
J.Biol.Chem., 286, 2011
2R2W
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BU of 2r2w by Molmil
Urokinase plasminogen activator B-chain-GPPE complex
分子名称: 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine, Plasminogen activator, urokinase, ...
著者Zeslawska, E.
登録日2007-08-28
公開日2007-10-23
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator.
Bioorg.Med.Chem.Lett., 17, 2007
7WBE
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BU of 7wbe by Molmil
Crystal structure of lysozyme (multilcrystal diffraction, CrystFEL/MOSFLM)
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2021-12-16
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
2QMB
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BU of 2qmb by Molmil
Structure determination of haemoglobin from Turkey(meleagris gallopavo) at 2.8 Angstrom resolution
分子名称: Hemoglobin beta chain, Hemoglobin subunit alpha-A, OXYGEN MOLECULE, ...
著者Packianathan, C, Sundaresan, S, Ponnuswamy, M.N.
登録日2007-07-15
公開日2008-07-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystal structure analysis of hemoglobin from turkey(meleagris gallopavo) at 2.80 Angstrom resolution
To be Published
7WBD
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BU of 7wbd by Molmil
Crystal structure of lysozyme (multilcrystal diffraction, CrystFEL/XGANDALF)
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2021-12-16
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
7WBF
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BU of 7wbf by Molmil
Crystal structure of lysozyme
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2021-12-16
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
3P1X
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BU of 3p1x by Molmil
Crystal structure of DRBM 2 domain of Interleukin enhancer-binding factor 3 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4527E
分子名称: Interleukin enhancer-binding factor 3
著者Seetharaman, J, Neely, H, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-09-30
公開日2010-12-29
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of DRBM 2 domain of Interleukin enhancer-binding factor 3 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4527E
To be Published
2QSJ
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Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi
分子名称: DNA-binding response regulator, LuxR family
著者Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-07-31
公開日2007-08-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi.
To be Published
2R4R
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Crystal structure of the human beta2 adrenoceptor
分子名称: Beta-2 adrenergic receptor, antibody for beta2 adrenoceptor, heavy chain, ...
著者Rasmussen, S.G.F, Choi, H.J, Rosenbaum, D.M, Kobilka, T.S, Thian, F.S, Edwards, P.C, Burghammer, M, Ratnala, V.R, Sanishvili, R, Fischetti, R.F, Schertler, G.F, Weis, W.I, Kobilka, B.K.
登録日2007-08-31
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of the human beta2 adrenergic G-protein-coupled receptor.
Nature, 450, 2007

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