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6M84
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BU of 6m84 by Molmil
Crystal structure of cKir2.2 force open mutant in complex with PI(4,5)P2
分子名称: ATP-sensitive inward rectifier potassium channel 12, DODECYL-BETA-D-MALTOSIDE, POTASSIUM ION, ...
著者Lee, S.-J, Ren, F, Yuan, P, Nichols, C.G.
登録日2018-08-21
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Atomistic basis of opening and conduction in mammalian inward rectifier potassium (Kir2.2) channels.
J.Gen.Physiol., 152, 2020
6M2H
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BU of 6m2h by Molmil
A reaction intermediate of sirohydrochlorin nickelochelatase CfbA in complex with Ni2+ and sirohydrochlorin
分子名称: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, NICKEL (II) ION, Sirohydrochlorin cobaltochelatase
著者Fujishiro, T.
登録日2020-02-27
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
3ND4
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BU of 3nd4 by Molmil
Watson-Crick 16-mer dsRNA
分子名称: 5'-R(*AP*GP*AP*GP*AP*AP*GP*AP*UP*CP*UP*UP*CP*UP*CP*U)-3', MAGNESIUM ION, POTASSIUM ION, ...
著者Mooers, B.H, Singh, A.
登録日2010-06-07
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.524 Å)
主引用文献The crystal structure of an oligo(U):pre-mRNA duplex from a trypanosome RNA editing substrate.
Rna, 17, 2011
3QTS
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BU of 3qts by Molmil
CDK2 in complex with inhibitor RC-2-12
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QX2
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BU of 3qx2 by Molmil
CDK2 in complex with inhibitor KVR-1-190
分子名称: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-01
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
6M9S
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BU of 6m9s by Molmil
Crystal structure of SeMet SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697
分子名称: FE (III) ION, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Rohac, R, Mitchell, A.J, Boal, A.K.
登録日2018-08-24
公開日2019-02-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献An N-nitrosating metalloenzyme constructs the pharmacophore of streptozotocin.
Nature, 566, 2019
3QWJ
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BU of 3qwj by Molmil
CDK2 in complex with inhibitor KVR-1-142
分子名称: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-28
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
6M9Z
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BU of 6m9z by Molmil
X-ray Structure of Branchiostoma floridae fluorescent protein lanFP6G
分子名称: Fluorescent protein lanFP6G
著者Muslinkina, L, Pletneva, N, Pletnev, V, Pletnev, S.
登録日2018-08-24
公開日2019-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Factors Enabling Successful GFP-Like Proteins with Alanine as the Third Chromophore-Forming Residue.
J. Mol. Biol., 431, 2019
3QX4
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BU of 3qx4 by Molmil
CDK2 in complex with inhibitor KVR-1-78
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-01
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QZI
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BU of 3qzi by Molmil
CDK2 in complex with inhibitor KVR-1-126
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-06
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QTX
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BU of 3qtx by Molmil
CDK2 in complex with inhibitor RC-2-35
分子名称: 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
6LK5
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BU of 6lk5 by Molmil
MLKL mutant - T357ES358D
分子名称: Mixed lineage kinase domain-like protein
著者Wang, H.Y, Li, S, Zhang, Y.
登録日2019-12-18
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
3RV9
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BU of 3rv9 by Molmil
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group
分子名称: 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-05-06
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
6LXH
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BU of 6lxh by Molmil
Staphylococcus aureus surface protein-sdrc
分子名称: Ser-Asp rich fibrinogen-binding, bone sialoprotein-binding protein
著者Pi, Y, Ji, Q.
登録日2020-02-11
公開日2020-04-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis ofStaphylococcus aureusSurface Protein SdrC.
Biochemistry, 59, 2020
3NZM
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BU of 3nzm by Molmil
Crystal structure of DNAE intein with N-extein in redox trap
分子名称: DNA polymerase III subunit alpha, SULFATE ION
著者Van Roey, P, Belfort, M, Callahan, B.P.
登録日2010-07-16
公開日2011-06-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of catalytically competent intein caught in a redox trap with functional and evolutionary implications.
Nat.Struct.Mol.Biol., 18, 2011
3S1H
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BU of 3s1h by Molmil
CDK2 in complex with inhibitor RC-2-39
分子名称: 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-05-15
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
6LVS
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BU of 6lvs by Molmil
USP14 catalytic domain mutant C114S
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, FORMIC ACID, ...
著者Lin, H.C, Lin, T.H, Chou, C.Y.
登録日2020-02-04
公開日2020-03-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献USP14 catalytic domain mutant C114S
To Be Published
3RV8
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BU of 3rv8 by Molmil
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Cyclopropyl R-Group
分子名称: 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-05-06
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
6M12
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Crystal Structure of Rnase L in complex with SU11652
分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, PHOSPHATE ION, Ribonuclease L, ...
著者Tang, J, Huang, H.
登録日2020-02-24
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
6M9R
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BU of 6m9r by Molmil
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a bound N(delta)-hydroxy-N(omega)-methyl-L-arginine intermediate
分子名称: (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate, FE (III) ION, SznF
著者Rohac, R, Mitchell, A.J, Boal, A.K.
登録日2018-08-24
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献An N-nitrosating metalloenzyme constructs the pharmacophore of streptozotocin.
Nature, 566, 2019
3RZI
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BU of 3rzi by Molmil
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from mycobacterium tuberculosis cocrystallized and complexed with phenylalanine and tryptophan
分子名称: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Jiao, W, Jameson, G.B, Hutton, R.D, Parker, E.J.
登録日2011-05-11
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dynamic cross-talk among remote binding sites: the molecular basis for unusual synergistic allostery.
J.Mol.Biol., 415, 2012
6LPD
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BU of 6lpd by Molmil
Phascolosoma esculenta
分子名称: FE (II) ION, FE (III) ION, Ferritin
著者Su, X.R, Ming, T.H.
登録日2020-01-09
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural comparison of two ferritins from the marine invertebrate Phascolosoma esculenta.
Febs Open Bio, 11, 2021
3RW8
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BU of 3rw8 by Molmil
Crystal structure of lysozyme in 40% ethanol
分子名称: ACETATE ION, CHLORIDE ION, ETHANOL, ...
著者Sharma, P, Solanki, A.K, Ashish
登録日2011-05-08
公開日2011-05-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献Crystal structure of lysozyme in 40% ethanol
to be published
6LSQ
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BU of 6lsq by Molmil
Crystal structure of Echistatin, an RGD-containing short disintegrin
分子名称: Disintegrin, SULFATE ION
著者Chang, Y.T, Chen, Y.C, Chuang, W.J.
登録日2020-01-19
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insight into Integrin Recognition and Anticancer Activity of Echistatin.
Toxins, 12, 2020
6M5Z
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Catalytic domain of GH30 xylanase C from Talaromyces cellulolyticus
分子名称: ACETATE ION, GH30 Xylanase C, GLYCEROL, ...
著者Nakamichi, Y, Watanabe, M, Inoue, H.
登録日2020-03-12
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of GH30-7 endoxylanase C from the filamentous fungus Talaromyces cellulolyticus.
Acta Crystallogr.,Sect.F, 76, 2020

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