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3NO0
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BU of 3no0 by Molmil
Aquifex aeolicus type IIA topoisomerase C-terminal domain
Descriptor: DNA gyrase subunit A, GLYCEROL, NITRATE ION
Authors:Tretter, E.M, Lerman, J.C, Berger, J.M.
Deposit date:2010-06-24
Release date:2010-12-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3004 Å)
Cite:A naturally chimeric type IIA topoisomerase in Aquifex aeolicus highlights an evolutionary path for the emergence of functional paralogs.
Proc.Natl.Acad.Sci.USA, 107, 2010
3NT1
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BU of 3nt1 by Molmil
High resolution structure of naproxen:COX-2 complex.
Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J.
Deposit date:2010-07-02
Release date:2010-09-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3NTB
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BU of 3ntb by Molmil
Structure of 6-methylthio naproxen analog bound to mCOX-2.
Descriptor: (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J.
Deposit date:2010-07-03
Release date:2010-09-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3NZU
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BU of 3nzu by Molmil
Structure-based Optimization of Pyrazolo -Pyrimidine and -Pyridine Inhibitors of PI3-Kinase
Descriptor: 6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2010-07-16
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3NZS
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BU of 3nzs by Molmil
Structure-based Optimization of Pyrazolo -Pyrimidine and -Pyridine Inhibitors of PI3-Kinase
Descriptor: 6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2010-07-16
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 20, 2010
4D0N
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BU of 4d0n by Molmil
AKAP13 (AKAP-Lbc) RhoGEF domain in complex with RhoA
Descriptor: 1,2-ETHANEDIOL, A-KINASE ANCHOR PROTEIN 13, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M.
Deposit date:2014-04-29
Release date:2014-05-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
4D0O
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BU of 4d0o by Molmil
AKAP13 (AKAP-Lbc) DH domain
Descriptor: A-KINASE ANCHOR PROTEIN 13
Authors:Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M.
Deposit date:2014-04-29
Release date:2014-05-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
1AJ8
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BU of 1aj8 by Molmil
CITRATE SYNTHASE FROM PYROCOCCUS FURIOSUS
Descriptor: CITRATE SYNTHASE, CITRIC ACID, COENZYME A
Authors:Russell, R.J.M, Ferguson, J.M.C, Hough, D.W, Danson, M.J, Taylor, G.L.
Deposit date:1997-05-16
Release date:1997-11-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of citrate synthase from the hyperthermophilic archaeon pyrococcus furiosus at 1.9 A resolution,.
Biochemistry, 36, 1997
4P2G
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BU of 4p2g by Molmil
Crystal structure of DJ-1 in sulfinic acid form (aged crystal)
Descriptor: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-04
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P36
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BU of 4p36 by Molmil
Crystal structure of DJ-1 With Zn(II) bound (crystal 2)
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.182 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P35
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BU of 4p35 by Molmil
Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
Descriptor: CHLORIDE ION, GLYCEROL, Protein DJ-1, ...
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P34
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BU of 4p34 by Molmil
Crystal structure of DJ-1 in sulfenic acid form (fresh crystal)
Descriptor: PENTAETHYLENE GLYCOL, Protein DJ-1
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
5BPG
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BU of 5bpg by Molmil
Crystal structure of the water-soluble FraC purified starting from the trans-membrane pore
Descriptor: CHLORIDE ION, Fragaceatoxin C, GLYCEROL
Authors:Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
Deposit date:2015-05-28
Release date:2015-11-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Bidirectional Transformation of a Metamorphic Protein between the Water-Soluble and Transmembrane Native States
Biochemistry, 54, 2015
8D5K
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BU of 8d5k by Molmil
The complex of Pre-mRNA-Processing Factor 19 (Prpf19) peptide KYLQVASHV Presented by H2-Kd
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ...
Authors:Custodio, J.M.F, Baker, B.M.
Deposit date:2022-06-05
Release date:2022-07-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.066 Å)
Cite:Structural and physical features that distinguish tumor-controlling from inactive cancer neoepitopes.
Proc.Natl.Acad.Sci.USA, 120, 2023
8D5E
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BU of 8d5e by Molmil
The complex of Gtf2b Peptide TGAASFDEF Presented by H2-Dd
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Custodio, J.M.F, Baker, B.M.
Deposit date:2022-06-04
Release date:2022-07-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and physical features that distinguish tumor-controlling from inactive cancer neoepitopes.
Proc.Natl.Acad.Sci.USA, 120, 2023
8D5F
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BU of 8d5f by Molmil
The complex of Gtf2b neoantigen TGAARFDEF Presented by H2-Dd
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Custodio, J.M.F, Baker, B.M.
Deposit date:2022-06-04
Release date:2022-07-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural and physical features that distinguish tumor-controlling from inactive cancer neoepitopes.
Proc.Natl.Acad.Sci.USA, 120, 2023
1CTP
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BU of 1ctp by Molmil
STRUCTURE OF THE MAMMALIAN CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND AN INHIBITOR PEPTIDE DISPLAYS AN OPEN CONFORMATION
Descriptor: MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE, cAMP-dependent protein kinase inhibitor, ...
Authors:Karlsson, R, Zheng, J, Xuong, N.H, Taylor, S.S, Sowadski, J.M.
Deposit date:1993-04-08
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the mammalian catalytic subunit of cAMP-dependent protein kinase and an inhibitor peptide displays an open conformation.
Acta Crystallogr.,Sect.D, 49, 1993
8F5N
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BU of 8f5n by Molmil
Identification of an Immunodominant region on a Group A Streptococcus T-antigen Reveals Temperature-Dependent Motion in Pili
Descriptor: CALCIUM ION, Mouse-Human Fab heavy chain, Mouse-Human Fab light chain, ...
Authors:Raynes, J.M, Young, P.G, Moreland, N.J.
Deposit date:2022-11-14
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of an immunodominant region on a group A Streptococcus T-antigen reveals temperature-dependent motion in pili.
Virulence, 14, 2023
6Z1H
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BU of 6z1h by Molmil
Ancestral glycosidase (family 1)
Descriptor: ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
Deposit date:2020-05-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
1GWB
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BU of 1gwb by Molmil
STRUCTURE OF GLYCOPROTEIN 1B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
Authors:Emsley, J, Uff, S, Clemetson, K.J.M, Clemetson, J.M, Harrison, T.
Deposit date:2002-03-14
Release date:2003-02-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Platelet Glycoprotein Ib-Alpha N-Terminal Domain Reveals an Unmasking Mechanism of Receptor Activation
J.Biol.Chem., 277, 2002
7MRJ
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BU of 7mrj by Molmil
Crystal structure of a novel ubiquitin-like TINCR
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Forouhar, F, Morgado-Palacin, L, Brown, J.A, Martinez, T, Pedrero, J.M.G, Reglero, C, Chaudhry, I, Vaughan, J, Rodriguez-Perales, S, Allonca, E, Granda-Diaz, R, Quinn, S.A, Fernandez, A.F, Fraga, M.F, Kim, A.L, Santos-Juanes, J, Owens, D.M, Rodrigo, J.P, Saghatelian, A, Ferrando, A.A.
Deposit date:2021-05-07
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The TINCR ubiquitin-like microprotein is a tumor suppressor in squamous cell carcinoma.
Nat Commun, 14, 2023
6CTH
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BU of 6cth by Molmil
Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
Descriptor: ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ...
Authors:Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-23
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
To Be Published
1B64
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BU of 1b64 by Molmil
SOLUTION STRUCTURE OF THE GUANINE NUCLEOTIDE EXCHANGE FACTOR DOMAIN FROM HUMAN ELONGATION FACTOR-ONE BETA, NMR, 20 STRUCTURES
Descriptor: ELONGATION FACTOR 1-BETA
Authors:Perez, J.M.J, Siegal, G, Kriek, J, Hard, K, Dijk, J, Canters, G.W, Moller, W.
Deposit date:1999-01-20
Release date:1999-05-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the guanine nucleotide exchange domain of human elongation factor 1beta reveals a striking resemblance to that of EF-Ts from Escherichia coli.
Structure Fold.Des., 7, 1999
1DAZ
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BU of 1daz by Molmil
Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
Descriptor: HIV-1 PROTEASE (RETROPEPSIN), N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T.
Deposit date:1999-11-01
Release date:2000-05-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
1DW6
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BU of 1dw6 by Molmil
Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
Descriptor: HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T.
Deposit date:2000-01-24
Release date:2000-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999

221716

數據於2024-06-26公開中

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