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1HSG
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BU of 1hsg by Molmil
CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
分子名称: HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
著者Chen, Z.
登録日1995-03-31
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
5X5O
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BU of 5x5o by Molmil
Crystal structure of ZAK in complex with compound D2829
分子名称: Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
著者Dai, Y.B, Zhao, P, Yun, C.H.
登録日2017-02-17
公開日2017-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017
1HSH
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BU of 1hsh by Molmil
CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
分子名称: HIV-II PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
著者Chen, Z.
登録日1995-03-31
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
2B5X
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BU of 2b5x by Molmil
Solution Structure of a Thioredoxin-like Protein in the Reduced Form
分子名称: YkuV protein
著者Zhang, X, Xia, B, Jin, C.
登録日2005-09-29
公開日2006-01-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity
J.Biol.Chem., 281, 2006
1LPS
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BU of 1lps by Molmil
A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES
分子名称: (1S)-MENTHYL HEXYL PHOSPHONATE GROUP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Grochulski, P.G, Cygler, M.C.
登録日1995-01-05
公開日1995-02-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
5KA8
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BU of 5ka8 by Molmil
Protein Tyrosine Phosphatase 1B L192A mutant, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5KA0
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BU of 5ka0 by Molmil
Protein Tyrosine Phosphatase 1B Delta helix 7, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5KAD
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BU of 5kad by Molmil
Protein Tyrosine Phosphatase 1B N193A mutant in complex with TCS401, closed state
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5K9W
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BU of 5k9w by Molmil
Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401, closed state
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5KA7
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BU of 5ka7 by Molmil
Protein Tyrosine Phosphatase 1B T178A mutant in complex with TCS401, closed state
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
著者Wright, K.M, Gabelli, S.B.
登録日2020-03-12
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
5K9V
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BU of 5k9v by Molmil
Protein Tyrosine Phosphatase 1B (1-301), open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5KAA
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BU of 5kaa by Molmil
Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
5YR0
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BU of 5yr0 by Molmil
Structure of Beclin1-UVRAG coiled coil domain complex
分子名称: Beclin-1, UV radiation resistance associated protein
著者Pan, X, Zhao, Y, He, Y.
登録日2017-11-08
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5KA4
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BU of 5ka4 by Molmil
Protein Tyrosine Phosphatase 1B T178A mutant, open state
分子名称: Tyrosine-protein phosphatase non-receptor type 1
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.185 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5KAB
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BU of 5kab by Molmil
Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant in complex with TCS401, open state
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5KA2
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BU of 5ka2 by Molmil
Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.071 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
6WFU
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BU of 6wfu by Molmil
BatAAV-10HB - empty particles
分子名称: VP1 capsid
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2020-04-04
公開日2020-06-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural characterization of a bat Adeno-associated virus capsid.
J.Struct.Biol., 211, 2020
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
6WS5
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BU of 6ws5 by Molmil
Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT
分子名称: 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ...
著者McPherson, K.S, Korzhnev, D.M.
登録日2020-04-30
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis.
Chemmedchem, 16, 2021
5KAC
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BU of 5kac by Molmil
Protein Tyrosine Phosphatase 1B P185G mutant, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5KA3
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BU of 5ka3 by Molmil
Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant in complex with TCS401, closed state
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
6WFT
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BU of 6wft by Molmil
BatAAV-10HB - genome-containing particles
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, VP1 capsid
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2020-04-04
公開日2020-06-24
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural characterization of a bat Adeno-associated virus capsid.
J.Struct.Biol., 211, 2020
5KA1
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BU of 5ka1 by Molmil
Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017

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