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1P8Q
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BU of 1p8q by Molmil
Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Cluster of Arginase I.
Descriptor: Arginase 1, GLYCEROL, MANGANESE (II) ION
Authors:Cama, E, Emig, F.A, Ash, D.E, Christianson, D.W.
Deposit date:2003-05-07
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and functional importance of first-shell metal ligands in the binuclear manganese cluster of arginase I
Biochemistry, 42, 2003
1LMP
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BU of 1lmp by Molmil
THE CRYSTAL STRUCTURES OF THREE COMPLEXES BETWEEN CHITOOLIGOSACCHARIDES AND LYSOZYME FROM THE RAINBOW TROUT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, LYSOZYME
Authors:Karlsen, S, Hough, E.
Deposit date:1994-10-25
Release date:1996-01-01
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of three complexes between chito-oligosaccharides and lysozyme from the rainbow trout. How distorted is the NAG sugar in site D?
Acta Crystallogr.,Sect.D, 51, 1995
1LCW
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BU of 1lcw by Molmil
streptavidin-homobiotin complex
Descriptor: HOMOBIOTIN, Streptavidin
Authors:Livnah, O, Pazy, Y, Bayer, E.A, Wilchek, M.
Deposit date:2002-04-07
Release date:2002-11-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand exchange between proteins: exchange of biotin and biotin derivatives between avidin and streptavidin
J.Biol.Chem., 277, 2002
4I63
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BU of 4i63 by Molmil
Crystal Structure of E-R ClpX Hexamer
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpX, SULFATE ION
Authors:Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T.
Deposit date:2012-11-29
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.709 Å)
Cite:Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine.
Cell(Cambridge,Mass.), 153, 2013
1UXY
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BU of 1uxy by Molmil
MURB MUTANT WITH SER 229 REPLACED BY ALA, COMPLEX WITH ENOLPYRUVYL-UDP-N-ACETYLGLUCOSAMINE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
Authors:Benson, T.E, Walsh, C.T, Hogle, J.M.
Deposit date:1996-11-08
Release date:1997-04-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution.
Biochemistry, 36, 1997
1FUA
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BU of 1fua by Molmil
L-FUCULOSE 1-PHOSPHATE ALDOLASE CRYSTAL FORM T
Descriptor: BETA-MERCAPTOETHANOL, L-FUCULOSE-1-PHOSPHATE ALDOLASE, SULFATE ION, ...
Authors:Dreyer, M.K, Schulz, G.E.
Deposit date:1996-02-14
Release date:1996-10-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Refined high-resolution structure of the metal-ion dependent L-fuculose-1-phosphate aldolase (class II) from Escherichia coli.
Acta Crystallogr.,Sect.D, 52, 1996
2GLZ
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BU of 2glz by Molmil
Crystal structure of a formylmethanofuran dehydrogenase subunit e-like protein (dhaf_2992) from desulfitobacterium hafniense dcb-2 at 1.45 A resolution
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, ZINC ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-04-05
Release date:2006-04-18
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of three members of Pfam PF02663 (FmdE) implicated in microbial methanogenesis reveal a conserved alpha+beta core domain and an auxiliary C-terminal treble-clef zinc finger.
Acta Crystallogr.,Sect.F, 66, 2010
3IXY
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BU of 3ixy by Molmil
The pseudo-atomic structure of dengue immature virus in complex with Fab fragments of the anti-fusion loop antibody E53
Descriptor: E53 Fab Fragment (chain H), E53 Fab Fragment (chain L), Envelope protein E, ...
Authors:Cherrier, M.V, Kaufmann, B, Nybakken, G.E, Lok, S.M, Warren, J.T, Nelson, C.A, Kostyuchenko, V.A, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Diamond, M.S, Rossmann, M.G, Fremont, D.H.
Deposit date:2009-02-26
Release date:2009-10-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (23 Å)
Cite:Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody
Embo J., 28, 2009
3I7F
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BU of 3i7f by Molmil
Aspartyl tRNA synthetase from Entamoeba histolytica
Descriptor: Aspartyl-tRNA synthetase
Authors:Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the aspartyl-tRNA synthetase from Entamoeba histolytica.
Mol.Biochem.Parasitol., 169, 2010
1GAD
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BU of 1gad by Molmil
COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O.
Deposit date:1995-10-24
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity.
J.Mol.Biol., 257, 1996
1Q3C
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BU of 1q3c by Molmil
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The E2A mutant at 2.3 resolution.
Descriptor: Endonuclease VIII, GLYCEROL, MAGNESIUM ION, ...
Authors:Golan, G, Zharkov, D.O, Feinberg, H, Fernandes, A.S, Zaika, E.I, Kycia, J.H, Grollman, A.P, Shoham, G.
Deposit date:2003-07-29
Release date:2004-08-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the uncomplexed DNA repair enzyme endonuclease VIII indicates significant interdomain flexibility.
Nucleic Acids Res., 33, 2005
1PPM
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BU of 1ppm by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
Descriptor: N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-L-alaninamide, PENICILLOPEPSIN, SULFATE ION, ...
Authors:Fraser, M.E, James, M.N.G.
Deposit date:1992-06-01
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
1Q0A
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BU of 1q0a by Molmil
Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group C222)
Descriptor: SULFATE ION, ZINC ION, Zn(II)-responsive regulator of zntA
Authors:Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A.
Deposit date:2003-07-15
Release date:2003-09-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003
1GAE
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BU of 1gae by Molmil
COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O.
Deposit date:1995-10-24
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity.
J.Mol.Biol., 257, 1996
2KVN
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BU of 2kvn by Molmil
Phi29 E-loop hairpin
Descriptor: RNA (5'-R(*GP*GP*UP*GP*AP*UP*UP*GP*AP*GP*UP*UP*CP*AP*CP*CP*A)-3')
Authors:Harris, S.M, Schroeder, S.J.
Deposit date:2010-03-19
Release date:2010-07-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structure of the prohead RNA E-loop hairpin.
Biochemistry, 49, 2010
3O4S
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BU of 3o4s by Molmil
Crystal Structure of HePTP with a Closed WPD Loop and an Ordered E-Loop
Descriptor: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 7
Authors:Critton, D.A, Page, R.
Deposit date:2010-07-27
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Visualizing active-site dynamics in single crystals of HePTP: opening of the WPD loop involves coordinated movement of the E loop.
J.Mol.Biol., 405, 2011
2QB3
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BU of 2qb3 by Molmil
Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-15
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
5QCS
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BU of 5qcs by Molmil
Crystal structure of BACE complex with BMC024
Descriptor: (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
2Z2S
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BU of 2z2s by Molmil
Crystal Structure of Rhodobacter sphaeroides SigE in complex with the anti-sigma ChrR
Descriptor: Anti-Sigma factor ChrR, transcriptional activator ChrR, RpoE, ...
Authors:Darst, S.A, Campbell, E.A.
Deposit date:2007-05-26
Release date:2008-02-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A conserved structural module regulates transcriptional responses to diverse stress signals in bacteria.
Mol.Cell, 27, 2007
7KZ0
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BU of 7kz0 by Molmil
Human MBD4 glycosylase domain bound to DNA containing substrate analog 2'-deoxy-pseudouridine
Descriptor: DNA (5'-D(*CP*CP*AP*GP*CP*GP*(P2U)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), GLYCEROL, ...
Authors:Pidugu, L.S, Pozharski, E, Drohat, A.C.
Deposit date:2020-12-09
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
7KZG
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BU of 7kzg by Molmil
Human MBD4 glycosylase domain bound to DNA containing oxacarbenium-ion analog 1-aza-2'-deoxyribose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pidugu, L.S, Pozharski, E, Drohat, A.C.
Deposit date:2020-12-10
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
7KZ1
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BU of 7kz1 by Molmil
Human MBD4 glycosylase domain bound to DNA containing an abasic site
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), ...
Authors:Pidugu, L.S, Bright, H, Pozharski, E, Drohat, A.C.
Deposit date:2020-12-09
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
1DV3
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BU of 1dv3 by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-SEPARATED D+QAQB-STATE WITH THE PROTON TRANSFER INHIBITOR CD2+
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CADMIUM ION, ...
Authors:Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G.
Deposit date:2000-01-19
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Determination of the binding sites of the proton transfer inhibitors Cd2+ and Zn2+ in bacterial reaction centers.
Proc.Natl.Acad.Sci.USA, 97, 2000
4XTJ
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BU of 4xtj by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl plus 100 mM NaCl condition
Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M.
Deposit date:2015-01-23
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
4AUB
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BU of 4aub by Molmil
the complex Structure of the bacterial aldo-keto reductase AKR14A1 with NADP and citrate
Descriptor: ALDO-KETO REDUCTASE AKR14A1, CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhu, X, Ellis, E.M, Lapthorn, A.
Deposit date:2012-05-16
Release date:2012-06-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Diversity of Microbial Aldo/Keto Reductases from Escherichia Coli K12.
Chem.Biol.Interact, 202, 2013

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