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5BNL
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Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins
分子名称: (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Maresca, A, Pochet, L, Masereel, B, Scozzafava, A, Supuran, C.T.
登録日2015-05-26
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.
J.Med.Chem., 53, 2010
4QSB
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BU of 4qsb by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-07-03
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
4QSI
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BU of 4qsi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-07-04
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
5CQF
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BU of 5cqf by Molmil
Crystal structure of L-lysine 6-monooxygenase from Pseudomonas syringae
分子名称: IODIDE ION, L-lysine 6-monooxygenase
著者Michalska, K, Bigelow, L, Jedrzejczak, R, Weerth, R.S, Cao, H, Yennamalli, R, Phillips Jr, G.N, Thomas, M.G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-07-21
公開日2015-09-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of L-lysine 6-monooxygenase from Pseudomonas syringae
To Be Published
5CUJ
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BU of 5cuj by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5D9H
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BU of 5d9h by Molmil
Crystal structure of SPAK (STK39) dimer in the basal activity state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, STE20/SPS1-related proline-alanine-rich protein kinase, ...
著者Taylor, C.A, Juang, Y.C, Goldsmith, E.J, Cobb, M.H.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Domain-Swapping Switch Point in Ste20 Protein Kinase SPAK.
Biochemistry, 54, 2015
4TUR
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BU of 4tur by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2)
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-06-24
公開日2014-10-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.169 Å)
主引用文献Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
5CZU
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BU of 5czu by Molmil
Crystal structure of FeCat-Fn
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Abe, S, Nakajima, H, Kondo, M, Nakane, T, Nakao, T, Ueno, T, Watanabe, Y.
登録日2015-08-01
公開日2015-11-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Construction of an enterobactin analogue with symmetrically arranged monomer subunits of ferritin
Chem.Commun.(Camb.), 51, 2015
5DBX
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BU of 5dbx by Molmil
Crystal structure of murine SPAK(T243D) in complex with AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, STE20/SPS1-related proline-alanine-rich protein kinase
著者Juang, Y.-C.
登録日2015-08-22
公開日2015-09-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Domain-Swapping Switch Point in Ste20 Protein Kinase SPAK.
Biochemistry, 54, 2015
4R64
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BU of 4r64 by Molmil
Binary complex crystal structure of E295K mutant of DNA polymerase Beta
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Batra, V.K, Beard, W.A, Wilson, S.H.
登録日2014-08-22
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
5D6B
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BU of 5d6b by Molmil
Human fumarase (wild type)
分子名称: Fumarate hydratase, mitochondrial
著者Pereira de Padua, R.A, Nonato, M.C.
登録日2015-08-11
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of recombinant human fumarase.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4JQ0
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BU of 4jq0 by Molmil
Voltage-gated sodium channel 1.5 C-terminal domain in complex with FGF12B and Ca2+/calmodulin
分子名称: CALCIUM ION, Calmodulin, Fibroblast growth factor 12, ...
著者Wang, C, Chung, B.C, Yan, H, Wang, H.G, Lee, S.Y, Pitt, G.S.
登録日2013-03-19
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.84 Å)
主引用文献Structural analyses of Ca(2+)/CaM interaction with NaV channel C-termini reveal mechanisms of calcium-dependent regulation.
Nat Commun, 5, 2014
4R66
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BU of 4r66 by Molmil
Ternary complex crystal structure of E295K mutant of DNA polymerase Beta
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Beard, W.A, Wilson, S.H.
登録日2014-08-22
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
2A3C
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BU of 2a3c by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline
分子名称: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase
著者Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
登録日2005-06-24
公開日2005-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
4RD9
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BU of 4rd9 by Molmil
X-RAY STRUCTURE OF THE APO FORM OF THE AMYLOID PRECURSOR PROTEIN-LIKE PROTEIN 1 (APLP1) E2 DOMAIN
分子名称: Amyloid-like protein 1
著者Dahms, S.O, Than, M.E.
登録日2014-09-18
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interaction of the amyloid precursor protein-like protein 1 (APLP1) E2 domain with heparan sulfate involves two distinct binding modes.
Acta Crystallogr.,Sect.D, 71, 2015
4RED
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BU of 4red by Molmil
Crystal structure of human AMPK alpha1 KD-AID with K43A mutation
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1
著者Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
登録日2014-09-22
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
2C9O
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BU of 2c9o by Molmil
3D Structure of the human RuvB-like helicase RuvBL1
分子名称: ADENOSINE-5'-DIPHOSPHATE, RUVB-LIKE 1
著者Matias, P.M, Gorynia, S, Donner, P, Carrondo, M.A.
登録日2005-12-14
公開日2006-10-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the human AAA+ protein RuvBL1.
J. Biol. Chem., 281, 2006
4L1J
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BU of 4l1j by Molmil
Three dimensional structure of mutant D143A of human HD domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ...
著者Kuzin, A, Su, M, Yakunin, A, Beloglazova, O, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-03
公開日2013-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.824 Å)
主引用文献Three dimensional structure of mutant D143A of human HD domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723
To be Published
4L7W
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BU of 4l7w by Molmil
Crystal structure mutant H77A of human HD domain-containing protein 2, Genomics Consortium (NESG) Target HR6723
分子名称: HD domain-containing protein 2, MAGNESIUM ION
著者Kuzin, A, Su, M, Yakunin, A, Beloglazova, N, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-14
公開日2013-07-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献Northeast Structural Genomics Consortium Target HR6723
To be Published
4TUS
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BU of 4tus by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2) WITH MANGANESE IN THE ACTIVE SITE.
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-06-24
公開日2014-10-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
4LB6
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BU of 4lb6 by Molmil
Crystal structure of PKZ Zalpha in complex with ds(CG)6 (tetragonal form)
分子名称: 5'-D(*TP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*G)-3', Protein kinase containing Z-DNA binding domains
著者De Rosa, M, Zacarias, S, Athanasiadis, A.
登録日2013-06-20
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for Z-DNA binding and stabilization by the zebrafish Z-DNA dependent protein kinase PKZ.
Nucleic Acids Res., 41, 2013
4TUQ
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BU of 4tuq by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite GG template (GG0b).
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*AP*TP*GP*GP*GP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-06-24
公開日2014-10-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.367 Å)
主引用文献Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
2A3L
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BU of 2a3l by Molmil
X-Ray Structure of Adenosine 5'-Monophosphate Deaminase from Arabidopsis Thaliana in Complex with Coformycin 5'-Phosphate
分子名称: AMP deaminase, COFORMYCIN 5'-PHOSPHATE, PHOSPHATE ION, ...
著者Han, B.W, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2005-06-25
公開日2005-07-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Membrane association, mechanism of action, and structure of Arabidopsis embryonic factor 1 (FAC1).
J.Biol.Chem., 281, 2006
2A6H
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BU of 2a6h by Molmil
Crystal structure of the T. thermophilus RNA polymerase holoenzyme in complex with antibiotic sterptolydigin
分子名称: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ...
著者Temiakov, D, Zenkin, N, Vassylyeva, M.N, Perederina, A, Tahirov, T.H, Savkina, M, Zorov, S, Nikiforov, V, Igarashi, N, Matsugaki, N, Wakatsuki, S, Severinov, K, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-07-02
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of transcription inhibition by antibiotic streptolydigin.
Mol.Cell, 19, 2005
4U9R
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BU of 4u9r by Molmil
Structure of the N-terminal Extension from Cupriavidus metallidurans CzcP
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, CADMIUM ION, CzcP cation efflux P1-ATPase
著者Smith, A.T, Rosenzweig, A.C.
登録日2014-08-06
公開日2015-07-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A new metal binding domain involved in cadmium, cobalt and zinc transport.
Nat.Chem.Biol., 11, 2015

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