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1OSB
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BU of 1osb by Molmil
Conjugative Relaxase TrwC in complex with OriT Dna. Metal-free structure.
分子名称: Dna oligonucleotide, SULFATE ION, TrwC protein
著者Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M.
登録日2003-03-19
公開日2003-11-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Recognition and processing of the origin of transfer DNA by conjugative relaxase TrwC.
Nat.Struct.Biol., 10, 2003
3T7H
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BU of 3t7h by Molmil
Atg8 transfer from Atg7 to Atg3: a distinctive E1-E2 architecture and mechanism in the autophagy pathway
分子名称: Ubiquitin-like modifier-activating enzyme ATG7
著者Taherbhoy, A.M, Tait, S.W, Kaiser, S.E, Williams, A.H, Deng, A, Nourse, A, Hammel, M, Kurinov, I, Rock, C.O, Green, D.R, Schulman, B.A.
登録日2011-07-30
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Atg8 transfer from atg7 to atg3: a distinctive e1-e2 architecture and mechanism in the autophagy pathway.
Mol.Cell, 44, 2011
6F22
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BU of 6f22 by Molmil
Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative)
分子名称: (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
4HZK
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BU of 4hzk by Molmil
Crystal structure of free CRM1 (crystal form 2)
分子名称: CRM1 Nuclear transport receptor
著者Monecke, T, Neumann, P, Dickmanns, A, Ficner, R.
登録日2012-11-15
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for cooperativity of CRM1 export complex formation.
Proc.Natl.Acad.Sci.USA, 110, 2013
3T8H
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BU of 3t8h by Molmil
Thermolysin In Complex With UBTLN29
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-08-01
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thermolysin Inhibition
To be Published
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
6P6B
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BU of 6p6b by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain
分子名称: Astrocytic phosphoprotein PEA-15
著者Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
登録日2019-06-03
公開日2019-07-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
3EHF
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BU of 3ehf by Molmil
Crystal structure of DesKC in complex with AMP-PCP
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor kinase (YocF protein)
著者Albanesi, D, Alzari, P.M, Buschiazzo, A.
登録日2008-09-12
公開日2009-09-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
6P1J
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BU of 6p1j by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo2 serine module
分子名称: ACETATE ION, CHLORIDE ION, CITRATE ANION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-20
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
1BZ1
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BU of 1bz1 by Molmil
HEMOGLOBIN (ALPHA + MET) VARIANT
分子名称: PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Arnone, A.
登録日1998-11-05
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural and functional properties of human hemoglobins reassembled after synthesis in Escherichia coli.
Biochemistry, 38, 1999
3EU4
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BU of 3eu4 by Molmil
Crystal Structure of BdbD from Bacillus subtilis (oxidised)
分子名称: BdbD, CALCIUM ION
著者Crow, A, Moller, M.C, Hederstedt, L, Le Brun, N.
登録日2008-10-09
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure and Biophysical Properties of Bacillus subtilis BdbD: AN OXIDIZING THIOL:DISULFIDE OXIDOREDUCTASE CONTAINING A NOVEL METAL SITE
J.Biol.Chem., 284, 2009
6P6U
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BU of 6p6u by Molmil
Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
分子名称: ADENOSINE MONOPHOSPHATE, L-lactate dehydrogenase A chain
著者McPherson, A.
登録日2019-06-04
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
to be published
6F6O
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BU of 6f6o by Molmil
Structure of Adenovirus 3 fiber head V239D mutant
分子名称: Fiber protein
著者Zubieta, C, Fender, P, Stermann, E, Lieber, A.
登録日2017-12-05
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin.
Mol Ther Methods Clin Dev, 2, 2015
6YEZ
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BU of 6yez by Molmil
Plant PSI-ferredoxin-plastocyanin supercomplex
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A.
登録日2020-03-25
公開日2020-09-30
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
6FA3
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BU of 6fa3 by Molmil
Antibody derived (Abd-6) small molecule binding to KRAS.
分子名称: DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2017-12-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
6FA2
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Antibody derived (Abd-5) small molecule binding to KRAS.
分子名称: 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2017-12-15
公開日2018-09-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
6P57
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Crystal Structure of the Beta Subunit of Luteinizing Hormone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Lutropin subunit beta, alpha-D-mannopyranose, ...
著者McPherson, A.
登録日2019-05-29
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献The Crystal Structure of the Beta Subunit of Luteinizing Hormone and a Model for the Intact Hormone
Curr Res Struct Biol, 2019
2UYD
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BU of 2uyd by Molmil
Crystal structure of the SmHasA mutant H83A
分子名称: ACETATE ION, HEMOPHORE HASA, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Czjzek, M, Caillet-Saguy, C, Fournelle, A, Guigliarelli, B, Izadi-Pruneyre, N, Lecroisey, A.
登録日2007-04-04
公開日2007-12-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Deciphering the Structural Role of Histidine 83 for Heme Binding in Hemophore Hasa.
J.Biol.Chem., 283, 2008
6P2K
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BU of 6p2k by Molmil
Crystal structure of AFV00434, an ancestral GH74 enzyme
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, CHLORIDE ION, ...
著者Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A.
登録日2019-05-21
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
4IB1
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BU of 4ib1 by Molmil
Structure of cAMP dependent protein kinase A in complex with high K+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-12-11
最終更新日2014-05-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
6PAE
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Dickeya chrysanthemi complex with L-Asp at pH 5.6
分子名称: 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ...
著者Lubkowski, J, Wlodawer, A.
登録日2019-06-11
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
2ZNV
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BU of 2znv by Molmil
Crystal structure of human AMSH-LP DUB domain in complex with Lys63-linked ubiquitin dimer
分子名称: 1,2-ETHANEDIOL, AMSH-like protease, Ubiquitin, ...
著者Sato, Y, Azusa, Y, Yamagata, A, Mimura, H, Wang, X, Yamashita, M, Ookata, K, Nureki, O, Iwai, K, Komada, M, Fukai, S.
登録日2008-05-01
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for specific cleavage of Lys 63-linked polyubiquitin chains
Nature, 455, 2008
2IJQ
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Crystal structure of protein rrnAC1037 from Haloarcula marismortui, Pfam DUF309
分子名称: Hypothetical protein
著者Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-09-30
公開日2006-10-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of the hypothetical Protein from Haloarcula marismortui
To be Published
3R4S
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BU of 3r4s by Molmil
Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules
分子名称: Botulinum neurotoxin type C1, N-acetyl-alpha-neuraminic acid, N-acetyl-beta-neuraminic acid
著者Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T.
登録日2011-03-17
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites.
Mol.Microbiol., 81, 2011
3RLY
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Human Thrombin in complex with MI329
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-04-20
公開日2012-04-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012

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