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3M3D
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BU of 3m3d by Molmil
Crystal structure of Acetylcholinesterase in complex with Xenon
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DI(HYDROXYETHYL)ETHER, ...
Authors:Behnen, J, Brumshtein, B, Toker, L, Silman, I, Sussman, J.L, Klebe, G, Heine, A.
Deposit date:2010-03-09
Release date:2011-03-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Old acquantance rediscover; use of xenon/protein complexes as a generic tool for SAD phasing of inhouse data
To be Published
3M36
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BU of 3m36 by Molmil
Factor XA in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)
Descriptor: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor
J.Med.Chem., 46, 2003
3C9L
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BU of 3c9l by Molmil
Structure of ground-state bovine rhodospin in a hexagonal crystal form
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ACETYL GROUP, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Stenkamp, R.E.
Deposit date:2008-02-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Alternative models for two crystal structures of bovine rhodopsin.
Acta Crystallogr.,Sect.D, 64, 2008
3MVT
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BU of 3mvt by Molmil
Crystal structure of apo mADA at 2.2A resolution
Descriptor: Adenosine deaminase, CHLORIDE ION, GLYCEROL
Authors:Niu, W, Shu, Q, Chen, Z, Mathews, S, Di Cera, E, Frieden, C.
Deposit date:2010-05-04
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The role of Zn2+ on the structure and stability of murine adenosine deaminase.
J.Phys.Chem.B, 114, 2010
3MXN
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BU of 3mxn by Molmil
Crystal structure of the RMI core complex
Descriptor: BENZAMIDINE, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
Authors:Hoadley, K.A, Xu, D, Xue, Y, Satyshur, K.A, Wang, W, Keck, J.L.
Deposit date:2010-05-07
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and cellular roles of the RMI core complex from the bloom syndrome dissolvasome.
Structure, 18, 2010
3N2O
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BU of 3n2o by Molmil
X-ray crystal structure of arginine decarboxylase complexed with Arginine from Vibrio vulnificus
Descriptor: AGMATINE, Biosynthetic arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A.
Deposit date:2010-05-18
Release date:2010-06-09
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
J.Biol.Chem., 285, 2010
3CVE
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BU of 3cve by Molmil
Crystal Structure of the carboxy terminus of Homer1
Descriptor: Homer protein homolog 1
Authors:Hayashi, M.K, Stearns, M.H, Giannini, V, Xu, R.-M, Sala, C, Hayashi, Y.
Deposit date:2008-04-18
Release date:2009-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The postsynaptic density proteins Homer and Shank form a polymeric network structure.
Cell(Cambridge,Mass.), 137, 2009
3CW1
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BU of 3cw1 by Molmil
Crystal Structure of Human Spliceosomal U1 snRNP
Descriptor: Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ...
Authors:Pomeranz Krummel, D.A, Oubridge, C, Leung, A.K, Li, J, Nagai, K.
Deposit date:2008-04-21
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (5.493 Å)
Cite:Crystal structure of human spliceosomal U1 snRNP at 5.5 A resolution.
Nature, 458, 2009
3E5U
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BU of 3e5u by Molmil
OCPA complexed CprK (C200S)
Descriptor: (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, Cyclic nucleotide-binding protein, PHOSPHATE ION, ...
Authors:Levy, C.
Deposit date:2008-08-14
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
3N2K
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BU of 3n2k by Molmil
TUBULIN-NSC 613862: RB3 Stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Barbier, P, Dorleans, A, Devred, F, Sanz, L, Allegro, D, Alfonso, C, Knossow, M, Peyrot, V, Andreu, J.M.
Deposit date:2010-05-18
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Stathmin and interfacial microtubule inhibitors recognize a naturally curved conformation of tubulin dimers.
J.Biol.Chem., 285, 2010
3E37
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BU of 3e37 by Molmil
Protein farnesyltransferase complexed with bisubstrate ethylenediamine scaffold inhibitor 5
Descriptor: Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ZINC ION, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3E5C
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BU of 3e5c by Molmil
Crystal Structure of the SMK box (SAM-III) Riboswitch with SAM
Descriptor: S-ADENOSYLMETHIONINE, SMK box (SAM-III) Riboswitch, STRONTIUM ION
Authors:Lu, C.
Deposit date:2008-08-13
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures of the SAM-III/S(MK) riboswitch reveal the SAM-dependent translation inhibition mechanism.
Nat.Struct.Mol.Biol., 15, 2008
3MVI
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BU of 3mvi by Molmil
Crystal structure of holo mADA at 1.6 A resolution
Descriptor: Adenosine deaminase, GLYCEROL, ZINC ION
Authors:Niu, W, Shu, Q, Chen, Z, Mathews, S, Di Cera, E, Frieden, C.
Deposit date:2010-05-04
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The role of Zn2+ on the structure and stability of murine adenosine deaminase.
J.Phys.Chem.B, 114, 2010
3M37
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BU of 3m37 by Molmil
Factor XA in complex with the inhibitor 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC602)
Descriptor: 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor.
J.Med.Chem., 46, 2003
3D2Q
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BU of 3d2q by Molmil
Crystal structure of MBNL1 tandem zinc finger 3 and 4 domain
Descriptor: Muscleblind-like protein 1, ZINC ION
Authors:Teplova, M, Patel, D.J.
Deposit date:2008-05-08
Release date:2008-12-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into RNA recognition by the alternative-splicing regulator muscleblind-like MBNL1.
Nat.Struct.Mol.Biol., 15, 2008
3D7F
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BU of 3d7f by Molmil
A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCIT, a urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
3CZA
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BU of 3cza by Molmil
Crystal Structure of E18D DJ-1
Descriptor: MALONIC ACID, Protein DJ-1
Authors:Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hashim, S, Pozharski, E, Wilson, M.A.
Deposit date:2008-04-28
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
3N1E
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BU of 3n1e by Molmil
Vps54 C-terminal domain
Descriptor: GLYCEROL, MAGNESIUM ION, Vacuolar protein sorting-associated protein 54
Authors:Perez-Victoria, F.J, Abascal-Palacios, G, Tascon, I, Kajava, A, Pioro, E.P, Bonifacino, J.S, Hierro, A.
Deposit date:2010-05-15
Release date:2010-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural basis for the wobbler mouse neurodegenerative disorder caused by mutation in the Vps54 subunit of the GARP complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
3DOE
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BU of 3doe by Molmil
Complex of ARL2 and BART, Crystal Form 1
Descriptor: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, T, Li, S, Ding, J.
Deposit date:2008-07-04
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
3DS9
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BU of 3ds9 by Molmil
A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Descriptor: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION, ...
Authors:Zuniga, J.E, Fenn, T.
Deposit date:2008-07-11
Release date:2008-09-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
3DDA
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BU of 3dda by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a snap-25 peptide
Descriptor: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-06-05
Release date:2008-09-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
3E6B
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BU of 3e6b by Molmil
OCPA complexed CprK (C200S)
Descriptor: (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, Cyclic nucleotide-binding protein
Authors:Levy, C.
Deposit date:2008-08-15
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
3N5U
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BU of 3n5u by Molmil
Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Retinoblastoma-associated protein, ...
Authors:Hirschi, A.M, Cecchini, M, Steinhardt, R.C, Dick, F.A, Rubin, S.M.
Deposit date:2010-05-25
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An overlapping kinase and phosphatase docking site regulates activity of the retinoblastoma protein.
Nat.Struct.Mol.Biol., 17, 2010
3EAQ
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BU of 3eaq by Molmil
Novel dimerization motif in the DEAD box RNA helicase Hera form 2, complete dimer, symmetric
Descriptor: CHLORIDE ION, Heat resistant RNA dependent ATPase
Authors:Klostermeier, D, Rudolph, M.G.
Deposit date:2008-08-26
Release date:2008-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel dimerization motif in the C-terminal domain of the Thermus thermophilus DEAD box helicase Hera confers substantial flexibility.
Nucleic Acids Res., 37, 2009
3NF3
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BU of 3nf3 by Molmil
Crystal structure of BoNT/A LC with JTH-NB-7239 peptide
Descriptor: BoNT/A, JTH-NB72-39 inhibitor, NICKEL (II) ION, ...
Authors:Zuniga, J.E.
Deposit date:2010-06-09
Release date:2010-07-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iterative structure-based peptide-like inhibitor design against the botulinum neurotoxin serotype A.
Plos One, 5, 2010

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