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4I79
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BU of 4i79 by Molmil
Crystal structure of human NUP43
分子名称: Nucleoporin Nup43, UNKNOWN ATOM OR ION, floating chain, ...
著者Xu, C, Tempel, W, Li, Z, He, H, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-11-30
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of human nuclear pore complex component NUP43.
Febs Lett., 589, 2015
5ZZ9
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Crystal structure of Homer2 EVH1/Drebrin PPXXF complex
分子名称: Homer protein homolog 2, Peptide from Drebrin
著者Li, Z, Liu, H, Li, J, Liu, W, Zhang, M.
登録日2018-05-31
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019
1HSH
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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
8JOP
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BU of 8jop by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 11a
分子名称: 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
著者Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
登録日2023-06-08
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
7RN2
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Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2
分子名称: 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4
著者Stachowski, T.R, Fischer, M.
登録日2021-07-28
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
7RMD
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Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1
分子名称: 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4
著者Stachowski, T.R, Fischer, M.
登録日2021-07-27
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
1GZ0
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BU of 1gz0 by Molmil
23S RIBOSOMAL RNA G2251 2'O-METHYLTRANSFERASE RLMB
分子名称: HYPOTHETICAL TRNA/RRNA METHYLTRANSFERASE YJFH
著者Michel, G, Cygler, M.
登録日2002-05-03
公開日2002-10-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Structure of the Rlmb 23S Rrna Methyltransferase Reveals a New Methyltransferase Fold with a Unique Knot
Structure, 10, 2002
6AN6
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Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
著者Shaw, G.X, Shi, G, Ji, X.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
1IM6
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CRYSTAL STRUCTURE OF UNLIGATED HPPK(R82A) FROM E.COLI AT 1.74 ANGSTROM RESOLUTION
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION
著者Blaszczyk, J, Ji, X.
登録日2001-05-09
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
4RXJ
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BU of 4rxj by Molmil
crystal structure of WHSC1L1-PWWP2
分子名称: Histone-lysine N-methyltransferase NSD3, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-12-11
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
6AN4
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Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F)
分子名称: ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
著者Shaw, G.X, Shi, G, Ji, X.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
1FG3
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CRYSTAL STRUCTURE OF L-HISTIDINOL PHOSPHATE AMINOTRANSFERASE COMPLEXED WITH L-HISTIDINOL
分子名称: HISTIDINOL PHOSPHATE AMINOTRANSFERASE, PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER, PYRIDOXAL-5'-PHOSPHATE
著者Sivaraman, J, Cygler, M.
登録日2000-07-27
公開日2001-08-22
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of histidinol phosphate aminotransferase (HisC) from Escherichia coli, and its covalent complex with pyridoxal-5'-phosphate and l-histidinol phosphate.
J.Mol.Biol., 311, 2001
2FBS
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Solution structure of the LL-37 core peptide bound to detergent micelles
分子名称: Antibacterial protein FALL-39, core peptide
著者Wang, G, Li, X.
登録日2005-12-10
公開日2006-05-23
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution Structures of Human LL-37 Fragments and NMR-Based Identification of a Minimal Membrane-Targeting Antimicrobial and Anticancer Region
J.Am.Chem.Soc., 128, 2006
1HN0
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BU of 1hn0 by Molmil
CRYSTAL STRUCTURE OF CHONDROITIN ABC LYASE I FROM PROTEUS VULGARIS AT 1.9 ANGSTROMS RESOLUTION
分子名称: CHONDROITIN ABC LYASE I, SODIUM ION
著者Huang, W, Cygler, M.
登録日2000-12-05
公開日2003-04-08
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 of Proteus vulgaris Chondroitin Sulfate ABC Lyase I at 1.9 Angstroms Resolution
J.Mol.Biol., 328, 2003
1HSI
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BU of 1hsi 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-2 PROTEASE
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 (2.5 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
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
1G4C
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BU of 1g4c by Molmil
CRYSTAL STRUCTURE OF A COMPLEX OF HPPK(R92A) FROM E.COLI WITH MG2+ AT 1.65 ANGSTROM RESOLUTION
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION, MAGNESIUM ION
著者Blaszczyk, J, Ji, X.
登録日2000-10-26
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
7S4E
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Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者MacPherson, D.J, Sherman, W.
登録日2021-09-08
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
4NJL
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Crystal structure of middle east respiratory syndrome coronavirus S2 protein fusion core
分子名称: S protein, TRIETHYLENE GLYCOL
著者Zhu, Y, Lu, L, Qin, L, Ye, S, Jiang, S, Zhang, R.
登録日2013-11-10
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based discovery of Middle East respiratory syndrome coronavirus fusion inhibitor.
Nat Commun, 5, 2014
1HQ2
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CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(R82A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.25 ANGSTROM RESOLUTION
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ACETATE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2000-12-13
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
6BPH
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Crystal structure of the chromodomain of RBBP1
分子名称: AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-11-23
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of chromo barrel domain of RBBP1.
Biochem. Biophys. Res. Commun., 496, 2018
7RU7
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BU of 7ru7 by Molmil
Crystal structure of BtrK, a decarboxylase involved in butirosin biosynthesis
分子名称: DI(HYDROXYETHYL)ETHER, L-glutamyl-[BtrI acyl-carrier protein] decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Arenas, L.A.R, Paiva, F.C.R, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2021-08-16
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis
J.Mol.Struct., 1267, 2022
2F3A
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Solution structure of the LL-37-derived aurein 1.2 analog (LLAA) in membrane-mimetic micelles
分子名称: aurein 1.2 analog
著者Wang, G, Li, X, Peterkofsky, A.
登録日2005-11-19
公開日2006-10-17
最終更新日2020-06-24
実験手法SOLUTION NMR
主引用文献NMR studies of aurein 1.2 analogs
BIOCHIM.BIOPHYS.ACTA, 1758, 2006
2FBU
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Solution structure of the N-terminal fragment of human LL-37
分子名称: Antibacterial protein FALL-39, core peptide
著者Wang, G, Li, X.
登録日2005-12-10
公開日2006-05-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structures of Human LL-37 Fragments and NMR-Based Identification of a Minimal Membrane-Targeting Antimicrobial and Anticancer Region
J.Am.Chem.Soc., 128, 2006
2FCG
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Solution structure of the C-terminal fragment of human LL-37
分子名称: Antibacterial protein FALL-39, core peptide
著者Wang, G, Li, X.
登録日2005-12-12
公開日2006-05-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structures of Human LL-37 Fragments and NMR-Based Identification of a Minimal Membrane-Targeting Antimicrobial and Anticancer Region.
J.Am.Chem.Soc., 128, 2006

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