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1BMQ
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BU of 1bmq by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE
分子名称: (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE, PROTEIN (INTERLEUKIN-1 BETA CONVERTASE)
著者Okamoto, Y, Anan, H, Nakai, E, Morihira, K, Yonetoku, Y, Kurihara, H, Katayama, N, Sakashita, H, Terai, Y, Takeuchi, M, Shibanuma, T, Isomura, Y.
登録日1998-07-24
公開日1998-07-29
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Peptide based interleukin-1 beta converting enzyme (ICE) inhibitors: synthesis, structure activity relationships and crystallographic study of the ICE-inhibitor complex.
Chem.Pharm.Bull., 47, 1999
4WKR
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BU of 4wkr by Molmil
LaRP7 wrapping up the 3' hairpin of 7SK non-coding RNA (302-332)
分子名称: 7SK GGHP4 (300-332), La-related protein 7
著者Uchikawa, E, Natchiar, K.S, Han, X, Proux, F, Roblin, P, Zhang, E, Durand, A, Klaholz, B.P, Dock-Bregeon, A.-C.
登録日2014-10-03
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insight into the mechanism of stabilization of the 7SK small nuclear RNA by LARP7.
Nucleic Acids Res., 43, 2015
5UVT
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BU of 5uvt by Molmil
BRD4_BD2_A-1454056
分子名称: 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-02-20
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Complex structure of BRD4_BD2_A-1454056
To Be Published
3K47
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BU of 3k47 by Molmil
Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
分子名称: 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Pace, J, Queener, S.F, Gangjee, A.
登録日2009-10-05
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
1BKU
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BU of 1bku by Molmil
EFFECTS OF GLYCOSYLATION ON THE STRUCTURE AND DYNAMICS OF EEL CALCITONIN, NMR, 10 STRUCTURES
分子名称: CALCITONIN
著者Hashimoto, Y, Nishikido, J, Toma, K, Yamamoto, K, Haneda, K, Inazu, T, Valentine, K, Opella, S.J.
登録日1998-07-13
公開日1999-01-13
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Effects of glycosylation on the structure and dynamics of eel calcitonin in micelles and lipid bilayers determined by nuclear magnetic resonance spectroscopy.
Biochemistry, 38, 1999
1BPY
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BU of 1bpy by Molmil
HUMAN DNA POLYMERASE BETA COMPLEXED WITH GAPPED DNA AND DDCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*DOC)-3'), ...
著者Sawaya, M.R, Pelletier, H, Prasad, R, Wilson, S.H, Kraut, J.
登録日1997-04-15
公開日1997-06-16
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of human DNA polymerase beta complexed with gapped and nicked DNA: evidence for an induced fit mechanism.
Biochemistry, 36, 1997
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
1UGO
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BU of 1ugo by Molmil
Solution structure of the first Murine BAG domain of Bcl2-associated athanogene 5
分子名称: Bcl2-associated athanogene 5
著者Endoh, H, Hayashi, F, Seimiya, K, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-06-17
公開日2004-08-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange
Structure, 18, 2010
5VCD
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BU of 5vcd by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to glycerol
分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5K5F
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BU of 5k5f by Molmil
NMR structure of the HLTF HIRAN domain
分子名称: Helicase-like transcription factor
著者Bezsonova, I, Neculai, D, Korzhnev, D, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2016-05-23
公開日2016-06-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the HLTF HIRAN domain
To Be Published
5UJ8
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BU of 5uj8 by Molmil
Human Origin Recognition Complex subunits 2 and 3
分子名称: Origin recognition complex subunit 2, Origin recognition complex subunit 3
著者Tocilj, A, On, K.F, Elkayam, E, Joshua-Tor, L.
登録日2017-01-17
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
3JVI
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BU of 3jvi by Molmil
Product state mimic crystal structure of protein tyrosine phosphatase from Entamoeba histolytica
分子名称: Protein tyrosine phosphatase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-16
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure and putative substrate identification for the Entamoeba histolytica low molecular weight tyrosine phosphatase.
Mol.Biochem.Parasitol., 193, 2014
3JVR
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BU of 3jvr by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
分子名称: (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1
著者Chen, P.
登録日2009-09-17
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
3JVZ
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BU of 3jvz by Molmil
E2~Ubiquitin-HECT
分子名称: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2
著者Souphron, J, Kamadurai, H.B, Schulman, B.A.
登録日2009-09-17
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Insights into ubiquitin transfer cascades from a structure of a UbcH5B approximately ubiquitin-HECT(NEDD4L) complex.
Mol.Cell, 36, 2009
5KJK
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BU of 5kjk by Molmil
SMYD2 in complex with AZ370
分子名称: (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
1BVA
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BU of 1bva by Molmil
MANGANESE BINDING MUTANT IN CYTOCHROME C PEROXIDASE
分子名称: MANGANESE (II) ION, PROTEIN (CYTOCHROME C PEROXIDASE), PROTOPORPHYRIN IX CONTAINING FE
著者Wilcox, S.K, Mcree, D.E, Goodin, D.B.
登録日1998-09-15
公開日1998-12-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Rational design of a functional metalloenzyme: introduction of a site for manganese binding and oxidation into a heme peroxidase.
Biochemistry, 37, 1998
3JPS
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BU of 3jps by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro methyl methylene triphosphate
分子名称: 2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
1BX4
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BU of 1bx4 by Molmil
STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.50 ANGSTROMS
分子名称: ADENOSINE, CHLORIDE ION, MAGNESIUM ION, ...
著者Mathews, I.I, Erion, M.D, Ealick, S.E.
登録日1998-10-13
公開日1999-10-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of human adenosine kinase at 1.5 A resolution.
Biochemistry, 37, 1998
4YJ0
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BU of 4yj0 by Molmil
Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA
分子名称: DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION
著者Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J.
登録日2015-03-02
公開日2015-05-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.814 Å)
主引用文献An ancient protein-DNA interaction underlying metazoan sex determination.
Nat.Struct.Mol.Biol., 22, 2015
1UCH
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BU of 1uch by Molmil
DEUBIQUITINATING ENZYME UCH-L3 (HUMAN) AT 1.8 ANGSTROM RESOLUTION
分子名称: UBIQUITIN C-TERMINAL HYDROLASE UCH-L3
著者Johnston, S.C, Larsen, C.N, Cook, W.J, Wilkinson, K.D, Hill, C.P.
登録日1997-10-06
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a deubiquitinating enzyme (human UCH-L3) at 1.8 A resolution.
EMBO J., 16, 1997
3KTF
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BU of 3ktf by Molmil
Structure of the N-terminal BRCT domain of human microcephalin (MCPH1).
分子名称: CHLORIDE ION, Microcephalin
著者Singh, N, Heroux, A, Thompson, J.R, Mer, G.
登録日2009-11-25
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of N-terminal BRCT domain of human microcephalin (MCPH1)
To be Published
4YWQ
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BU of 4ywq by Molmil
Crystal structure of the ROQ domain of human Roquin-1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2015-03-20
公開日2015-04-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the ROQ domain of human Roquin-1
To be Published
5KJL
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BU of 5kjl by Molmil
SMYD2 in complex with AZ378
分子名称: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
3KVO
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BU of 3kvo by Molmil
Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
分子名称: Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
1CIC
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BU of 1cic by Molmil
IDIOTOPE-ANTI-IDIOTOPE FAB-FAB COMPLEX; D1.3-E225
分子名称: PROTEIN (IG HEAVY CHAIN V REGIONS)
著者Bentley, G.A.
登録日1999-03-31
公開日1999-04-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of an idiotope-anti-idiotope complex.
Nature, 348, 1990

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