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4EAM
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BU of 4eam by Molmil
1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ...
Authors:Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J.
Deposit date:2012-03-22
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
4DJD
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BU of 4djd by Molmil
Crystal structure of folate-free corrinoid iron-sulfur protein (CFeSP) in complex with its methyltransferase (MeTr)
Descriptor: 5-methyltetrahydrofolate corrinoid/iron sulfur protein methyltransferase, CALCIUM ION, COBALAMIN, ...
Authors:Kung, Y, Doukov, T.I, Blasiak, L.C, Drennan, C.L.
Deposit date:2012-02-01
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Visualizing molecular juggling within a B12-dependent methyltransferase complex.
Nature, 484, 2012
4DGC
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BU of 4dgc by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: cyclosporin A complex
Descriptor: TRIMCyp, cyclosporin A
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4EX1
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BU of 4ex1 by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-04-29
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EY9
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BU of 4ey9 by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EYD
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BU of 4eyd by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EWZ
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BU of 4ewz by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-04-29
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
1HY7
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BU of 1hy7 by Molmil
A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3
Descriptor: CALCIUM ION, R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID, STROMELYSIN-1, ...
Authors:Natchus, M.G, Bookland, R.G, Laufersweiler, M.J, Pikul, S, Almstead, N.G, De, B, Janusz, M.J, Hsieh, L.C, Gu, F, Pokross, M.E, Patel, V.S, Garver, S.M, Peng, S.X, Branch, T.M, King, S.L, Baker, T.R, Foltz, D.J, Mieling, G.E.
Deposit date:2001-01-18
Release date:2002-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines.
J.Med.Chem., 44, 2001
1WWC
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BU of 1wwc by Molmil
NT3 BINDING DOMAIN OF HUMAN TRKC RECEPTOR
Descriptor: PROTEIN (NT-3 GROWTH FACTOR RECEPTOR TRKC)
Authors:Ultsch, M.H, Wiesmann, C, Simmons, L.C, Henrich, J, Yang, M, Reilly, D, Bass, S.H, De Vos, A.M.
Deposit date:1999-04-30
Release date:1999-07-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
1XD8
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BU of 1xd8 by Molmil
Crystal Structure of the Nitrogenase Fe protein Asp39Asn
Descriptor: IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
Authors:Jang, S.B, Jeong, M.S, Seefeldt, L.C, Peters, J.W.
Deposit date:2004-09-05
Release date:2005-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and biochemical implications of single amino acid substitutions in the nucleotide-dependent switch regions of the nitrogenase Fe protein from Azotobacter vinelandii
J.Biol.Inorg.Chem., 9, 2004
1IFQ
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BU of 1ifq by Molmil
Sec22b N-terminal domain
Descriptor: GLYCEROL, vesicle trafficking protein Sec22b
Authors:Gonzalez Jr, L.C, Weis, W.I, Scheller, R.H.
Deposit date:2001-04-13
Release date:2001-05-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel snare N-terminal domain revealed by the crystal structure of Sec22b.
J.Biol.Chem., 276, 2001
1IFP
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BU of 1ifp by Molmil
INOVIRUS (FILAMENTOUS BACTERIOPHAGE) STRAIN PF3 MAJOR COAT PROTEIN ASSEMBLY
Descriptor: MAJOR COAT PROTEIN ASSEMBLY
Authors:Welsh, L.C, Symmons, M.F, Perham, R.N, Marvin, D.A.
Deposit date:1998-01-22
Release date:1998-11-04
Last modified:2024-05-22
Method:FIBER DIFFRACTION (3.1 Å)
Cite:Structure of the capsid of Pf3 filamentous phage determined from X-ray fibre diffraction data at 3.1 A resolution.
J.Mol.Biol., 283, 1998
1XD9
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BU of 1xd9 by Molmil
Crystal Structure of the Nitrogenase Fe protein Asp39Asn with MgADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Jang, S.B, Jeong, M.S, Seefeldt, L.C, Peters, J.W.
Deposit date:2004-09-05
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biochemical implications of single amino acid substitutions in the nucleotide-dependent switch regions of the nitrogenase Fe protein from Azotobacter vinelandii
J.Biol.Inorg.Chem., 9, 2004
1XW4
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BU of 1xw4 by Molmil
Crystal Structure of Human Sulfiredoxin (Srx) in Complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Sulfiredoxin
Authors:Murray, M.S, Jonsson, T.J, Johnson, L.C, Poole, L.B, Lowther, W.T.
Deposit date:2004-10-29
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the retroreduction of inactivated peroxiredoxins by human sulfiredoxin.
Biochemistry, 44, 2005
1JTH
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BU of 1jth by Molmil
Crystal structure and biophysical properties of a complex between the N-terminal region of SNAP25 and the SNARE region of syntaxin 1a
Descriptor: SNAP25, syntaxin 1a
Authors:Misura, K.M.S, Gonzalez Jr, L.C, May, A.P, Scheller, R.H, Weis, W.I.
Deposit date:2001-08-21
Release date:2001-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and biophysical properties of a complex between the N-terminal SNARE region of SNAP25 and syntaxin 1a.
J.Biol.Chem., 276, 2001
1YRK
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BU of 1yrk by Molmil
The C2 Domain of PKC is a new Phospho-Tyrosine Binding Domain
Descriptor: 13-residue peptide, ACETIC ACID, Protein kinase C, ...
Authors:Benes, C.H, Wu, N, Elia, A.E, Dharia, T, Cantley, L.C, Soltoff, S.P.
Deposit date:2005-02-03
Release date:2005-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The C2 domain of PKCdelta is a phosphotyrosine binding domain.
Cell(Cambridge,Mass.), 121, 2005
1YW2
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BU of 1yw2 by Molmil
Mutated Mus Musculus P38 Kinase (mP38)
Descriptor: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14
Authors:Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J.
Deposit date:2005-02-16
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
1ZJN
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BU of 1zjn by Molmil
Human DNA Polymerase beta complexed with DNA containing an A-A mismatched primer terminus with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H.
Deposit date:2005-04-29
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Nucleotide-induced DNA polymerase active site motions accommodating a mutagenic DNA intermediate.
STRUCTURE, 13, 2005
1ZGI
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BU of 1zgi by Molmil
thrombin in complex with an oxazolopyridine inhibitor 21
Descriptor: (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE, Hirudin, Thrombin
Authors:Deng, J.Z, McMasters, D.R, Rabbat, P.M, Williams, P.D, Coburn, C.A, Yan, Y, Kuo, L.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Strulovici, B, Vacca, J.P, Lyle, T.A, Burgey, C.S.
Deposit date:2005-04-21
Release date:2005-09-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization.
Bioorg.Med.Chem.Lett., 15, 2005
1JSV
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BU of 1jsv by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide
Descriptor: 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Watenpaugh, K.D, Kelley, L.C.
Deposit date:2001-08-19
Release date:2001-08-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The cyclin-dependent kinases cdk2 and cdk5 act by a random, anticooperative kinetic mechanism
J.Biol.Chem., 276, 2001
1ZM8
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BU of 1zm8 by Molmil
Apo Crystal structure of Nuclease A from Anabaena sp.
Descriptor: MANGANESE (II) ION, Nuclease, SODIUM ION, ...
Authors:Ghosh, M, Meiss, G, Pingoud, A, London, R.E, Pedersen, L.C.
Deposit date:2005-05-10
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Mechanism of Nuclease A, a beta beta alpha Metal Nuclease from Anabaena.
J.Biol.Chem., 280, 2005
1YVC
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BU of 1yvc by Molmil
Solution structure of the conserved protein from the gene locus MMP0076 of Methanococcus maripaludis. Northeast Structural Genomics target MrR5.
Descriptor: MrR5
Authors:Northeast Structural Genomics Consortium (NESG), Rossi, P, Aramini, J.M, Xiao, R, Ho, C.K, Ma, L.C, Acton, T.B, Montelione, G.T.
Deposit date:2005-02-15
Release date:2005-04-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:
To be Published
1KNY
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BU of 1kny by Molmil
KANAMYCIN NUCLEOTIDYLTRANSFERASE
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, KANAMYCIN A, KANAMYCIN NUCLEOTIDYLTRANSFERASE, ...
Authors:Pedersen, L.C, Benning, M.M, Holden, H.M.
Deposit date:1995-07-07
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural investigation of the antibiotic and ATP-binding sites in kanamycin nucleotidyltransferase.
Biochemistry, 34, 1995
1ZJM
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BU of 1zjm by Molmil
Human DNA Polymerase beta complexed with DNA containing an A-A mismatched primer terminus
Descriptor: 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', DNA polymerase beta, ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H.
Deposit date:2005-04-29
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleotide-induced DNA polymerase active site motions accommodating a mutagenic DNA intermediate.
STRUCTURE, 13, 2005
1YWR
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BU of 1ywr by Molmil
Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor
Descriptor: 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14
Authors:Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J.
Deposit date:2005-02-18
Release date:2005-05-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005

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