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4NHV
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BU of 4nhv by Molmil
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Descriptor: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-05
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
3O6E
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BU of 3o6e by Molmil
Crystal Structure of human Hiwi1 PAZ domain (residues 277-399) in complex with 14-mer RNA (12-bp + 2-nt overhang) containing 2'-OCH3 at its 3'-end
Descriptor: Piwi-like protein 1, RNA (5'-R(*GP*CP*GP*AP*AP*UP*AP*UP*UP*CP*GP*CP*UP*(OMU))-3')
Authors:Tian, Y, Simanshu, D.K, Ma, J.-B, Patel, D.J.
Deposit date:2010-07-28
Release date:2011-01-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Inaugural Article: Structural basis for piRNA 2'-O-methylated 3'-end recognition by Piwi PAZ (Piwi/Argonaute/Zwille) domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
4NIL
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BU of 4nil by Molmil
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
Descriptor: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-06
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4JLP
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BU of 4jlp by Molmil
Crystal structure of R150K aquifex adenylate kinase mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Phung, L, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
1XON
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BU of 1xon by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Piclamilast
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-06
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
6EWE
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BU of 6ewe by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308
Descriptor: (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
2VHC
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BU of 2vhc by Molmil
P4 PROTEIN FROM BACTERIOPHAGE PHI12 N234G mutant in complex with AMPCPP and MN
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, NTPASE P4
Authors:Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R.
Deposit date:2007-11-20
Release date:2007-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor.
J.Biol.Chem., 283, 2008
3OD5
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BU of 3od5 by Molmil
Crystal structure of active caspase-6 bound with Ac-VEID-CHO
Descriptor: CACODYLATE ION, Caspase-6, peptide aldehyde inhibitor AC-VEID-CHO
Authors:Wang, X.-J, Liu, X, Wang, K.-T, Cao, Q, Su, X.-D.
Deposit date:2010-08-11
Release date:2010-10-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
2XYY
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BU of 2xyy by Molmil
De Novo model of Bacteriophage P22 procapsid coat protein
Descriptor: COAT PROTEIN
Authors:Chen, D.-H, Baker, M.L, Hryc, C.F, DiMaio, F, Jakana, J, Wu, W, Dougherty, M, Haase-Pettingell, C, Schmid, M.F, Jiang, W, Baker, D, King, J.A, Chiu, W.
Deposit date:2010-11-19
Release date:2011-02-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural Basis for Scaffolding-Mediated Assembly and Maturation of a DsDNA Virus.
Proc.Natl.Acad.Sci.USA, 108, 2011
2NUI
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BU of 2nui by Molmil
X-ray Structure of synthetic [D83A]RNase A
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ribonuclease pancreatic
Authors:Boerema, D.J, Tereshko, V.A, Kent, S.B.H.
Deposit date:2006-11-09
Release date:2007-10-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Total synthesis by modern chemical ligation methods and high resolution (1.1 A) X-ray structure of ribonuclease A
Biopolymers, 90, 2008
2OJP
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BU of 2ojp by Molmil
The crystal structure of a dimeric mutant of Dihydrodipicolinate synthase from E.coli- DHDPS-L197Y
Descriptor: Dihydrodipicolinate synthase, GLYCEROL
Authors:Griffin, M.D.W, Dobson, R.C.J, Antonio, L, Perugini, M.A, Jameson, G.B, Gerrard, J.A.
Deposit date:2007-01-13
Release date:2008-01-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of quaternary structure in a homotetrameric enzyme.
J.Mol.Biol., 380, 2008
2OK4
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BU of 2ok4 by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-phenylacetaldehyde adduct oxidized with ferricyanide
Descriptor: Aromatic amine dehydrogenase, large subunit, small subunit, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-01-16
Release date:2007-05-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
6F13
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BU of 6f13 by Molmil
GLIC mutant E75A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
9D77
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BU of 9d77 by Molmil
Crystal form of Netrin-1 mimics nanotubes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Meier, M, Krahn, N.J, McDougall, M.D, Rafiei, F, Koch, M, Stetefeld, J.
Deposit date:2024-08-16
Release date:2024-10-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Mechanistic insights in the higher-order protein assemblies of netrin-1
To Be Published
3OEV
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BU of 3oev by Molmil
Structure of yeast 20S open-gate proteasome with Compound 25
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide, MAGNESIUM ION, ...
Authors:Sintchak, M.D.
Deposit date:2010-08-13
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
5PZS
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BU of 5pzs by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea
Descriptor: Fructose-1,6-bisphosphatase 1, N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-11
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea
To be published
1TY2
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BU of 1ty2 by Molmil
Crystal structure of the streptococcal pyrogenic exotoxin J (SPE-J)
Descriptor: ZINC ION, putative exotoxin (superantigen)
Authors:Baker, H.M, Proft, T, Webb, P.D, Arcus, V.L, Fraser, J.D, Baker, E.N.
Deposit date:2004-07-07
Release date:2004-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and mutational data show that the streptococcal pyrogenic exotoxin j can use a common binding surface for T-cell receptor binding and dimerization
J.Biol.Chem., 279, 2004
1BUE
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BU of 1bue by Molmil
NMC-A CARBAPENEMASE FROM ENTEROBACTER CLOACAE
Descriptor: PROTEIN (IMIPENEM-HYDROLYSING BETA-LACTAMASE)
Authors:Swaren, P, Maveyraud, L, Cabantous, S, Pedelacq, J.D, Mourey, L, Frere, J.M, Samama, J.P.
Deposit date:1998-09-03
Release date:1999-09-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:X-ray analysis of the NMC-A beta-lactamase at 1.64-A resolution, a class A carbapenemase with broad substrate specificity.
J.Biol.Chem., 273, 1998
2NYZ
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BU of 2nyz by Molmil
Viral Chemokine Binding Protein M3 From Murine Gammaherpesvirus68 In Complex With The C- Chemokine XCL1
Descriptor: Hypothetical protein GAMMAHV.M3, Lymphotactin
Authors:Alexander-Brett, J.M, Fremont, D.H.
Deposit date:2006-11-21
Release date:2007-12-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dual GPCR and GAG mimicry by the M3 chemokine decoy receptor.
J.Exp.Med., 204, 2007
2I0T
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BU of 2i0t by Molmil
Crystal structure of phenylacetaldehyde derived R-carbinolamine adduct of aromatic amine dehydrogenase
Descriptor: 2-PHENYL-ETHANOL, Aromatic amine dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
1BUZ
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BU of 1buz by Molmil
SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: SPOIIAA
Authors:Kovacs, H, Comfort, D, Lord, M, Campbell, I.D, Yudkin, M.D.
Deposit date:1997-09-08
Release date:1998-07-01
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Solution structure of SpoIIAA, a phosphorylatable component of the system that regulates transcription factor sigmaF of Bacillus subtilis.
Proc.Natl.Acad.Sci.USA, 95, 1998
1L2J
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BU of 1l2j by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
Descriptor: (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, ESTROGEN RECEPTOR BETA
Authors:Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
4NUT
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BU of 4nut by Molmil
Crystal structure of the complex between Snu13p and the PEP domain of Rsa1
Descriptor: 13 kDa ribonucleoprotein-associated protein, Ribosome assembly 1 protein, SULFATE ION
Authors:Charron, C, Chagot, M.E, Manival, X, Branlant, C, Charpentier, B.
Deposit date:2013-12-04
Release date:2014-12-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Proteomic and 3D structure analyses highlight the C/D box snoRNP assembly mechanism and its control
J.Cell Biol., 207, 2014
3V6Z
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BU of 3v6z by Molmil
Crystal Structure of Hepatitis B Virus e-antigen
Descriptor: Fab e6 Heavy Chain, Fab e6 Light Chain, e-antigen
Authors:Dimattia, M.A, Watts, N.R, Stahl, S.J, Grimes, J.M, Steven, A.C, Stuart, D.I, Wingfield, P.T.
Deposit date:2011-12-20
Release date:2013-02-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Antigenic switching of hepatitis B virus by alternative dimerization of the capsid protein.
Structure, 21, 2013
3OC3
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BU of 3oc3 by Molmil
Crystal structure of the Mot1 N-terminal domain in complex with TBP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HELICASE MOT1, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1)
Authors:Wollmann, P, Cui, S, Viswanathan, R, Berninghausen, O, Wells, M.N, Moldt, M, Witte, G, Butryn, A, Wendler, P, Beckmann, R, Auble, D.T, Hopfner, K.-P.
Deposit date:2010-08-09
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP.
Nature, 475, 2011

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