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5EV2
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BU of 5ev2 by Molmil
Structure II of Intact U2AF65 Recognizing the 3' Splice Site Signal
分子名称: 1,4-DIETHYLENE DIOXIDE, DI(HYDROXYETHYL)ETHER, DNA (5'-R(P*UP*U)-D(P*UP*U)-R(P*U)-D(P*UP*(BRU)P*U)-3'), ...
著者Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
登録日2015-11-19
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal.
Nat Commun, 7, 2016
5EV3
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Structure III of Intact U2AF65 Recognizing the 3' Splice Site Signal
分子名称: DNA/RNA (5'-R(P*UP*U)-D(P*U)-R(P*UP*U)-D(P*(BRU)P*UP*U)-3'), Splicing factor U2AF 65 kDa subunit
著者Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
登録日2015-11-19
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal.
Nat Commun, 7, 2016
5EV5
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Crystal structure of murine neuroglobin mutant V101F at 150 MPa pressure
分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Colloc'h, N, Girard, E, Vallone, B, Prange, T.
登録日2015-11-19
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
3EQM
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BU of 3eqm by Molmil
Crystal structure of human placental aromatase cytochrome P450 in complex with androstenedione
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
著者Ghosh, D.
登録日2008-10-01
公開日2008-12-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for androgen specificity and oestrogen synthesis in human aromatase.
Nature, 457, 2009
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
分子名称: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
著者Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
登録日1991-01-02
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
5EV4
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Structure IV of Intact U2AF65 Recognizing the 3' Splice Site Signal
分子名称: DNA/RNA (5'-R(P*UP*UP*UP*(UD)P*UP*U)-D(P*(BRU)P*(UD))-R(P*C)-3'), GLYCEROL, Splicing factor U2AF 65 kDa subunit
著者Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
登録日2015-11-19
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal.
Nat Commun, 7, 2016
6I5L
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BU of 6i5l by Molmil
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h)
分子名称: 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-11-13
公開日2019-01-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
8BWN
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BU of 8bwn by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV)
分子名称: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
8BWL
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BU of 8bwl by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium
分子名称: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
3EUX
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BU of 3eux by Molmil
Crystal Structure of Crosslinked Ribonuclease A
分子名称: Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
8BWM
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BU of 8bwm by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV)
分子名称: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
3EV4
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BU of 3ev4 by Molmil
Crystal Structure of Ribonuclease A in 50% Trifluoroethanol
分子名称: Ribonuclease pancreatic, TRIFLUOROETHANOL
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
5D48
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BU of 5d48 by Molmil
Crystal Structure of FABP4 in complex with 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy) phenyl]-1H-indol-1-yl}propanoic acid
分子名称: 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid, Fatty acid-binding protein, adipocyte, ...
著者Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
登録日2015-08-07
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
5CSH
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BU of 5csh by Molmil
Crystal Structure of CK2alpha with Compound 4 bound
分子名称: 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
3EQC
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BU of 3eqc by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P
分子名称: 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
5D52
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BU of 5d52 by Molmil
In meso in situ serial X-ray crystallography structure of insulin at room temperature
分子名称: Insulin A chain, Insulin B chain, PHOSPHATE ION
著者Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-08-10
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
6UVY
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BU of 6uvy by Molmil
BACE-1 in complex with compound #18
分子名称: (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ...
著者Hendle, J, Timm, D.E.
登録日2019-11-04
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
5D54
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BU of 5d54 by Molmil
In meso X-ray crystallography structure of insulin at 100 K
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ...
著者Huang, C.-Y, Olieric, V, Wang, M, Caffrey, M.
登録日2015-08-10
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D5R
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BU of 5d5r by Molmil
Horse-heart myoglobin - deoxy state
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Barends, T, Schlichting, I.
登録日2015-08-11
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
6I2A
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BU of 6i2a by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2018-11-01
公開日2019-05-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5D5E
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BU of 5d5e by Molmil
In meso in situ serial X-ray crystallography structure of insulin by sulfur-SAD at 100 K
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ...
著者Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-08-10
公開日2016-01-13
最終更新日2016-03-02
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D65
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X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-C motif chemokine 3, CHLORIDE ION, ...
著者Liang, W.G, Hwang, D.Y, Zulueta, M.M, Hung, S.C, Tang, W.
登録日2015-08-11
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
6IAY
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BU of 6iay by Molmil
Alpha-1-antitrypsin Queen's (Lys154Asn) variant
分子名称: Alpha-1-antitrypsin, GLYCINE
著者Aldobiyan, I, Lomas, D.A, Irving, J.A.
登録日2018-11-28
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural determinants of instability in alpha-1-antitrypsin
To Be Published
3EQF
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BU of 3eqf by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P
分子名称: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, K-252A, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
6I3Z
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BU of 6i3z by Molmil
Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen
分子名称: Alpha-1-antitrypsin, Fab 2H2 heavy chain, Fab 2H2 light chain, ...
著者Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Fra, A, Lomas, D.A, Irving, J.A.
登録日2018-11-08
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin.
JCI Insight, 5, 2020

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