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PDB: 15 件
9BI8
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BU of 9bi8 by Molmil
Crystal structure of inhibitor GNE-6893 bound to HPK1
分子名称: (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ...
著者Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M.
登録日2024-04-22
公開日2024-10-02
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
9BJ1
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BU of 9bj1 by Molmil
Crystal structure of inhibitor GNE-6893 bound to HPK1
分子名称: (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one, 1,2-ETHANEDIOL, ...
著者Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M.
登録日2024-04-24
公開日2024-10-02
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
1PQ4
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BU of 1pq4 by Molmil
Crystal structure of ZnuA
分子名称: ZINC ION, periplasmic binding protein component of an ABC type zinc uptake transporter
著者Banerjee, S, Wei, B, Bhattacharyya-Pakrasi, M, Pakrasi, H.B, Smith, T.J.
登録日2003-06-17
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Determinants of Metal Specificity in the Zinc Transport Protein ZnuA from Synechocystis 6803.
J.Mol.Biol., 333, 2003
6MV8
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BU of 6mv8 by Molmil
LDHA structure in complex with inhibitor 14
分子名称: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C.E, Ultsch, M, Wei, B.
登録日2018-10-24
公開日2019-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based Optimization of Potent, Cell-Active Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
6MVA
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BU of 6mva by Molmil
LDHA structure in complex with inhibitor 14
分子名称: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C.E, Ultsch, M, Wei, B.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-based Optimization of Potent, Cell-Active Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
2OV1
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BU of 2ov1 by Molmil
Crystal structure of apo form of ZnuA with flexible loop deletion
分子名称: Periplasmic binding protein component of an ABC type zinc uptake transporter
著者Smith, T.J, Wei, B.
登録日2007-02-12
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Possible regulatory role for the histidine-rich loop in the zinc transport protein, ZnuA.
Biochemistry, 46, 2007
2OV3
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Crystal structure of 138-173 ZnuA deletion mutant plus zinc bound
分子名称: Periplasmic binding protein component of an ABC type zinc uptake transporter, ZINC ION
著者Smith, T.J, Wei, B.
登録日2007-02-12
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Possible Regulatory Role for the Histidine-Rich Loop in the Zinc Transport Protein, ZnuA
Biochemistry, 46, 2007
4WG1
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BU of 4wg1 by Molmil
Room temperature crystal structure of lysozyme determined by serial synchrotron crystallography (micro focused beam - crystFEL)
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P.
登録日2014-09-17
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WG7
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BU of 4wg7 by Molmil
Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a nano focused beam.
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Brewster, A.S, Kappe, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
登録日2014-09-18
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WL6
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BU of 4wl6 by Molmil
Raster-scanning protein crystallography using micro and nano-focused synchrotron beams
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
登録日2014-10-06
公開日2015-05-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WL7
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BU of 4wl7 by Molmil
Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a micro focused beam (Conventional resolution cut-off)
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
登録日2014-10-06
公開日2015-05-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
5CGN
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BU of 5cgn by Molmil
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8
分子名称: CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin
著者Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
登録日2015-07-09
公開日2015-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
5CGO
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BU of 5cgo by Molmil
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13
分子名称: ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2
著者Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
登録日2015-07-09
公開日2015-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
4MGP
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BU of 4mgp by Molmil
Structure of racemic Ala-(8,13,18) Magainin 2
分子名称: Magainin 2 Derivative
著者Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T.
登録日2013-08-28
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue.
J.Am.Chem.Soc., 135, 2013
2LCQ
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BU of 2lcq by Molmil
Solution structure of the endonuclease Nob1 from P.horikoshii
分子名称: Putative toxin VapC6, ZINC ION
著者Veith, T, Martin, R, Wurm, J.P, Weis, B, Duchardt-Ferner, E, Safferthal, C, Hennig, R, Mirus, O, Bohnsack, M.T, Woehnert, J, Schleiff, E.
登録日2011-05-05
公開日2011-12-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of the archaeal endonuclease Nob1.
Nucleic Acids Res., 40, 2012

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件を2024-10-30に公開中

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