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PDB: 89111 件

6JMI
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Crystal structure of M.tuberculosis Rv0081
分子名称: SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv0081
著者Kumar, A, Phulera, S, Mande, C.S.
登録日2019-03-11
公開日2019-04-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献Structural basis of hypoxic gene regulation by the Rv0081 transcription factor of Mycobacterium tuberculosis.
Febs Lett., 593, 2019
1ANX
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BU of 1anx by Molmil
THE CRYSTAL STRUCTURE OF A NEW HIGH-CALCIUM FORM OF ANNEXIN V
分子名称: ANNEXIN V, CALCIUM ION, SULFATE ION
著者Sopkova, J, Renouard, M, Lewit-Bentley, A.
登録日1993-10-26
公開日1994-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a new high-calcium form of annexin V.
J.Mol.Biol., 234, 1993
7RT3
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Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound
分子名称: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
7RT1
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Crystal Structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound
分子名称: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
4ZFP
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BU of 4zfp by Molmil
A new crystal structure for the adduct formed in the reaction between AuSac2, a cytotoxic homoleptic gold(I) compound with the saccharinate ligand, and the model protein hen egg white lysozyme
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Merlino, A.
登録日2015-04-21
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural evidences for a secondary gold binding site in the hydrophobic box of lysozyme.
Biometals, 28, 2015
8BN2
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BU of 8bn2 by Molmil
Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1) in complex with D-Serine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Heroven, C, Malinauskas, T, Aricescu, A.R.
登録日2022-11-11
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献GluD1 binds GABA and controls inhibitory plasticity.
Science, 382, 2023
6FWB
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Crystal structure of Mat2A at 1.79 Angstron resolution
分子名称: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
著者Zhou, A, Wei, Z, Bai, J, Wang, H.
登録日2018-03-06
公開日2019-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
7O88
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BU of 7o88 by Molmil
Cystal structure of Zymogen Granule Protein 16 (ZG16)
分子名称: GLYCEROL, Zymogen granule membrane protein 16
著者Javitt, G, Kinzel, A, Fass, D.
登録日2021-04-14
公開日2021-06-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational switches and redox properties of the colon cancer-associated human lectin ZG16.
Febs J., 288, 2021
4ZG1
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Crystal structure of a nanobody raised against KDM5B
分子名称: NB17
著者Wiuf, A, Kristensen, O, Gajhede, M.
登録日2015-04-22
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and binding properties of a cameloid nanobody raised against KDM5B.
Acta Crystallogr.,Sect.F, 71, 2015
4U2C
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Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution
分子名称: Carboxymethylenebutenolidase, SULFATE ION
著者Porter, J.L, Collyer, C.A, Ollis, D.L.
登録日2014-07-16
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
6FMN
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BU of 6fmn by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ...
著者Nguyen, A, Heine, A, Klebe, G.
登録日2018-02-01
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase.
Chemistry, 24, 2018
4U2D
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BU of 4u2d by Molmil
Crystal structure of dienelactone hydrolase S-2 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.67 A resolution
分子名称: Carboxymethylenebutenolidase, SULFATE ION
著者Porter, J.L, Collyer, C.A, Ollis, D.L.
登録日2014-07-16
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2G
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BU of 4u2g by Molmil
Crystal structure of dienelactone hydrolase B-4 variant (Q35H, F38L, Y64H, Q76L, Q110L, C123S, Y137C, A141V, Y145C, N154D, E199G, S208G, G211D, S233G and 237Q) at 1.80 A resolution
分子名称: Carboxymethylenebutenolidase, SULFATE ION
著者Porter, J.L, Collyer, C.A, Ollis, D.L.
登録日2014-07-16
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
7RT2
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BU of 7rt2 by Molmil
Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound
分子名称: 1,2-ETHANEDIOL, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GLYCEROL, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
5JI2
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BU of 5ji2 by Molmil
HslU L199Q in HslUV complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ...
著者Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
登録日2016-04-21
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.307 Å)
主引用文献A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
6IY9
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Crystal structure of aminoglycoside 7"-phoshotransferase-Ia (APH(7")-Ia/HYG) from Streptomyces hygroscopicus complexed with hygromycin B
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRATE ANION, HYGROMYCIN B VARIANT, ...
著者Takenoya, M, Shimamura, T, Yamanaka, R, Adachi, Y, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S.
登録日2018-12-14
公開日2019-09-11
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the substrate recognition of aminoglycoside 7''-phosphotransferase-Ia from Streptomyces hygroscopicus.
Acta Crystallogr.,Sect.F, 75, 2019
6IYQ
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Crystal structure of a DNA duplex cross-linked by 6-thioguanine-6-thioguanine disulfides
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*(S6G)P*(S6G)P*(BRU)P*CP*GP*CP*G)-3')
著者Kondo, J, Ono, A, Atsugi, T.
登録日2018-12-17
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of a DNA duplex cross-linked by 6-thioguanine-6-thioguanine disulfides: reversible formation and cleavage catalyzed by Cu(II) ion and glutathione
Rsc Adv, 2019
8BN5
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BU of 8bn5 by Molmil
Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1) in complex with GABA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Heroven, C, Malinauskas, T, Aricescu, A.R.
登録日2022-11-12
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献GluD1 binds GABA and controls inhibitory plasticity.
Science, 382, 2023
7RT4
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KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine)
分子名称: 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
5FAV
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E491Q mutant of choline TMA-lyase
分子名称: Choline trimethylamine-lyase, MALONATE ION, SODIUM ION
著者Funk, M.A, Drennan, C.L.
登録日2015-12-12
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
1A0L
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BU of 1a0l by Molmil
HUMAN BETA-TRYPTASE: A RING-LIKE TETRAMER WITH ACTIVE SITES FACING A CENTRAL PORE
分子名称: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPTASE
著者Pereira, P.J.B, Bergner, A, Macedo-Ribeiro, S, Huber, R, Matschiner, G, Fritz, H, Sommerhoff, C.P, Bode, W.
登録日1997-12-03
公開日1999-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human beta-tryptase is a ring-like tetramer with active sites facing a central pore.
Nature, 392, 1998
5FCA
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BU of 5fca by Molmil
Murine SMPDL3A in presence of excess zinc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
登録日2015-12-15
公開日2016-01-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.924 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
8BLJ
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BU of 8blj by Molmil
Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1), apo state
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Heroven, C, Malinauskas, T, Aricescu, A.R.
登録日2022-11-09
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献GluD1 binds GABA and controls inhibitory plasticity.
Science, 382, 2023
4TWA
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BU of 4twa by Molmil
Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Plasmodium falciparum
分子名称: CHLORIDE ION, Proline--tRNA ligase, SULFATE ION
著者Jain, V, Yogavel, M, Sharma, A.
登録日2014-06-30
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional analysis of the anti-malarial drug target prolyl-tRNA synthetase.
J. Struct. Funct. Genomics, 15, 2014
5JJN
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Structure of the SRII/HtrII(G83F) Complex in P212121 space group ("V" shape)
分子名称: EICOSANE, RETINAL, Sensory rhodopsin II transducer, ...
著者Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V.
登録日2016-04-24
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017

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