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4CRG
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BU of 4crg by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
1W33
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BU of 1w33 by Molmil
BbCRASP-1 from Borrelia Burgdorferi
分子名称: BBCRASP-1, GLYCEROL
著者Cordes, F.S, Roversi, P, Goodstadt, L, Ponting, C, Kraiczy, P, Skerka, C, Kirschfink, M, Simon, M.M, Brade, V, Zipfel, P, Wallich, R, Lea, S.M.
登録日2004-07-13
公開日2005-02-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Novel Fold for the Factor H-Binding Protein Bbcrasp-1 of Borrelia Burgdorferi
Nat.Struct.Mol.Biol., 12, 2005
1YMC
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BU of 1ymc by Molmil
THREE-DIMENSIONAL STRUCTURE OF CYANOMET-SULFMYOGLOBIN C
分子名称: CYANIDE ION, CYANOMET-SULFMYOGLOBIN, SULFATE ION, ...
著者Evans, S.V, Brayer, G.D.
登録日1993-09-27
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of cyanomet-sulfmyoglobin C.
Proc.Natl.Acad.Sci.USA, 91, 1994
1YMA
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BU of 1yma by Molmil
STRUCTURAL CHARACTERIZATION OF HEME LIGATION IN THE HIS64-->TYR VARIANT OF MYOGLOBIN
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Maurus, R, Brayer, G.D.
登録日1993-09-27
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of heme ligation in the His64-->Tyr variant of myoglobin.
J.Biol.Chem., 269, 1994
5UKD
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BU of 5ukd by Molmil
PH INFLUENCES FLUORIDE COORDINATION NUMBER OF THE ALFX PHOSPHORYL TRANSFER TRANSITION STATE ANALOG
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CYTIDINE-5'-MONOPHOSPHATE, ...
著者Schlichting, I, Reinstein, J.
登録日1999-04-18
公開日1999-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献pH influences fluoride coordination number of the AlFx phosphoryl transfer transition state analog.
Nat.Struct.Biol., 6, 1999
1TGC
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BU of 1tgc by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
分子名称: CALCIUM ION, TRYPSINOGEN
著者Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
登録日1981-10-26
公開日1982-03-04
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
4DQ4
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BU of 4dq4 by Molmil
Bovine beta-lactoglobulin complex with linoleic acid
分子名称: Beta-lactoglobulin, ETHANOL, GLYCEROL, ...
著者Loch, J.I, Lewinski, K.
登録日2012-02-15
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
5V7C
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BU of 5v7c by Molmil
Crystal structure of LARP1-unique domain DM15 bound 5'TOP RNA sequence
分子名称: La-related protein 1, RNA (5'-R(*CP*UP*UP*UP*UP*CP*CP*G)-3')
著者Berman, A.J, Lahr, R.M, Al-Ashtal, H.A.
登録日2017-03-20
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献La-related protein 1 (LARP1) binds the mRNA cap, blocking eIF4F assembly on TOP mRNAs.
Elife, 6, 2017
2AAT
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BU of 2aat by Molmil
2.8-ANGSTROMS-RESOLUTION CRYSTAL STRUCTURE OF AN ACTIVE-SITE MUTANT OF ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, SULFATE ION
著者Smith, D, Almo, S.C, Toney, M, Ringe, D.
登録日1989-05-30
公開日1989-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献2.8-A-resolution crystal structure of an active-site mutant of aspartate aminotransferase from Escherichia coli.
Biochemistry, 28, 1989
5VRK
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BU of 5vrk by Molmil
Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - open form
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
登録日2017-05-10
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
1OS7
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BU of 1os7 by Molmil
Crystal structure of TauD with iron, alpha-ketoglutarate and Taurine bound at pH 7.5
分子名称: 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent taurine dioxygenase, ...
著者O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N.
登録日2003-03-18
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate-Induced Conformational Changes in Escherichia coli Taurine/alpha-Ketoglutarate Dioxygenase and Insight Into the Oligomeric Structure
Biochemistry, 42, 2003
3N85
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BU of 3n85 by Molmil
Crystallographic trimer of HER2 extracellular regions in complex with tryptophan-rich antibody fragment
分子名称: CHLORIDE ION, Fab37 Heavy Chain, Fab37 Light Chain, ...
著者Eigenbrot, C.
登録日2010-05-27
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of the complex between HER2 and an antibody paratope formed by side chains from tryptophan and serine.
J.Mol.Biol., 402, 2010
4JQF
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BU of 4jqf by Molmil
Structure of the C-terminal domain of human telomeric Stn1
分子名称: CST complex subunit STN1
著者Bryan, C.F, Rice, C.T, Harkisheimer, M, Schultz, D, Skordalakes, E.
登録日2013-03-20
公開日2013-06-05
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the human telomeric stn1-ten1 capping complex.
Plos One, 8, 2013
1H2G
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BU of 1h2g by Molmil
Altered substrate specificity mutant of penicillin acylase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ...
著者McVey, C.E, Morillas, M, Brannigan, J.A, Ladurner, A.G, Forney, L.J, Virden, R.
登録日2002-08-08
公開日2003-07-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutations of Penicillin Acylase Residue B71 Extend Substrate Specificity by Decreasing Steric Constraints for Substrate Binding
Biochem.J., 371, 2003
1TAH
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BU of 1tah by Molmil
THE CRYSTAL STRUCTURE OF TRIACYLGLYCEROL LIPASE FROM PSEUDOMONAS GLUMAE REVEALS A PARTIALLY REDUNDANT CATALYTIC ASPARTATE
分子名称: CALCIUM ION, LIPASE
著者Noble, M.E.M, Cleasby, A, Johnson, L.N, Egmond, M, Frenken, L.G.J.
登録日1993-12-21
公開日1994-05-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structure of triacylglycerol lipase from Pseudomonas glumae reveals a partially redundant catalytic aspartate.
FEBS Lett., 331, 1993
5V4R
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BU of 5v4r by Molmil
Crystal structure of LARP1-unique domain DM15 bound to m7GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, La-related protein 1
著者Berman, A.J, Lahr, R.M.
登録日2017-03-10
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献La-related protein 1 (LARP1) binds the mRNA cap, blocking eIF4F assembly on TOP mRNAs.
Elife, 6, 2017
4CHA
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BU of 4cha by Molmil
STRUCTURE OF ALPHA-*CHYMOTRYPSIN REFINED AT 1.68 ANGSTROMS RESOLUTION
分子名称: ALPHA-CHYMOTRYPSIN A
著者Tsukada, H, Blow, D.M.
登録日1984-11-26
公開日1985-04-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure of alpha-chymotrypsin refined at 1.68 A resolution.
J.Mol.Biol., 184, 1985
1FAP
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BU of 1fap by Molmil
THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP
分子名称: FK506-BINDING PROTEIN, FRAP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Choi, J, Chen, J, Schreiber, S.L, Clardy, J.
登録日1996-03-15
公開日1997-07-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the FKBP12-rapamycin complex interacting with the binding domain of human FRAP.
Science, 273, 1996
4NAW
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BU of 4naw by Molmil
Crystal Structure of Human ATG12~ATG5-ATG16N in complex with a fragment of ATG3
分子名称: Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ...
著者Metlagel, Z, Otomo, C, Takaesu, G, Otomo, T.
登録日2013-10-22
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Structural basis of ATG3 recognition by the autophagic ubiquitin-like protein ATG12.
Proc.Natl.Acad.Sci.USA, 110, 2013
4C0P
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BU of 4c0p by Molmil
Unliganded Transportin 3
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TRANSPORTIN-3
著者Maertens, G.N, Cook, N.J, Hare, S, Cherepanov, P.
登録日2013-08-06
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
1OKV
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BU of 1okv by Molmil
Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2
著者Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
登録日2003-07-30
公開日2003-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
5T65
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BU of 5t65 by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-ILE
分子名称: ACETATE ION, ISOLEUCINE, Methyl-accepting chemotaxis protein PctA, ...
著者Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-01
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
1XYF
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BU of 1xyf by Molmil
ENDO-1,4-BETA-XYLANASE FROM STREPTOMYCES OLIVACEOVIRIDIS
分子名称: ENDO-1,4-BETA-XYLANASE
著者Fujimoto, Z, Mizuno, H, Kuno, A, Kusakabe, I.
登録日1999-05-11
公開日2000-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Streptomyces olivaceoviridis E-86 beta-xylanase containing xylan-binding domain.
J.Mol.Biol., 300, 2000
1TN3
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BU of 1tn3 by Molmil
THE C-TYPE LECTIN CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN TETRANECTIN
分子名称: CALCIUM ION, ETHANOL, SULFATE ION, ...
著者Kastrup, J.S, Nielsen, B.B, Rasmussen, H, Holtet, T.L, Graversen, J.H, Etzerodt, M, Thoegersen, H.C, Larsen, I.K.
登録日1997-11-06
公開日1998-05-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the C-type lectin carbohydrate recognition domain of human tetranectin.
Acta Crystallogr.,Sect.D, 54, 1998
5T4O
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BU of 5t4o by Molmil
Autoinhibited E. coli ATP synthase state 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G.
登録日2016-08-29
公開日2016-12-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states.
Elife, 5, 2016

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