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4G1M
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BU of 4g1m by Molmil
Re-refinement of alpha V beta 3 structure
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:Springer, T.A, Mi, L, Zhu, J.
Deposit date:2012-07-10
Release date:2012-12-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Alpha V Beta 3 Integrin Crystal Structures and their Functional Implications
Biochemistry, 51, 2012
1DIZ
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BU of 1diz by Molmil
CRYSTAL STRUCTURE OF E. COLI 3-METHYLADENINE DNA GLYCOSYLASE (ALKA) COMPLEXED WITH DNA
Descriptor: 3-METHYLADENINE DNA GLYCOSYLASE II, DNA (5'-D(*GP*AP*CP*AP*TP*GP*AP*(NRI)P*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), ...
Authors:Hollis, T, Ichikawa, Y, Ellenberger, T.E.
Deposit date:1999-11-30
Release date:2000-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:DNA bending and a flip-out mechanism for base excision by the helix-hairpin-helix DNA glycosylase, Escherichia coli AlkA.
EMBO J., 19, 2000
1DE7
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BU of 1de7 by Molmil
INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX
Descriptor: ALPHA-THROMBIN (HEAVY CHAIN), ALPHA-THROMBIN (LIGHT CHAIN), FACTOR XIII ACTIVATION PEPTIDE (28-37), ...
Authors:Sadasivan, C, Yee, V.C.
Deposit date:1999-11-13
Release date:2000-12-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of the factor XIII activation peptide with alpha -thrombin. Crystal structure of its enzyme-substrate analog complex.
J.Biol.Chem., 275, 2000
4FS1
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BU of 4fs1 by Molmil
Base pairing mechanism of N2,3-ethenoguanine with dTTP by human polymerase iota
Descriptor: DNA 5'-D(*TP*CP*TP*(EFG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3', DNA polymerase iota, MAGNESIUM ION, ...
Authors:Zhao, L.
Deposit date:2012-06-26
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Basis of Miscoding of the DNA Adduct N2,3-Ethenoguanine by Human Y-family DNA Polymerases.
J.Biol.Chem., 287, 2012
7TXR
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BU of 7txr by Molmil
Crystal structure of the Vitronectin hemopexin-like domain binding Calcium-2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Aleshin, A.E, Marassi, F.M.
Deposit date:2022-02-09
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for calcium-induced thermostability of human vitronectin
To Be Published
4FS2
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BU of 4fs2 by Molmil
Base pairing mechanism of N2,3-ethenoguanine with dCTP by human polymerase iota
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*TP*CP*TP*(EFG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3'), DNA polymerase iota, ...
Authors:Zhao, L.
Deposit date:2012-06-26
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Basis of Miscoding of the DNA Adduct N2,3-Ethenoguanine by Human Y-family DNA Polymerases.
J.Biol.Chem., 287, 2012
4GIR
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BU of 4gir by Molmil
Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Enolase, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-08-08
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212)
To be Published
4GM1
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BU of 4gm1 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403S
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4FUI
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BU of 4fui by Molmil
Crystal Structure of the Urokinase
Descriptor: 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE, GLYCEROL, SODIUM ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Urokinase
to be published
1EBF
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BU of 1ebf by Molmil
HOMOSERINE DEHYDROGENASE FROM S. CEREVISIAE COMPLEX WITH NAD+
Descriptor: HOMOSERINE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:DeLaBarre, B, Thompson, P.R, Wright, G.D, Berghuis, A.M.
Deposit date:2000-01-24
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of homoserine dehydrogenase suggest a novel catalytic mechanism for oxidoreductases.
Nat.Struct.Biol., 7, 2000
4G0A
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BU of 4g0a by Molmil
Crystallographic Analysis of Rotavirus NSP2-RNA Complex Reveals Specific Recognition of 5'-GG Sequence for RTPase activity
Descriptor: CHLORIDE ION, Non-structural protein 2, RNA (5'-R(P*GP*GP*U)-3'), ...
Authors:Hu, L, Prasad, B.V.V.
Deposit date:2012-07-09
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.0995 Å)
Cite:Crystallographic Analysis of Rotavirus NSP2-RNA Complex Reveals Specific Recognition of 5' GG Sequence for RTPase Activity.
J.Virol., 86, 2012
4GDX
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BU of 4gdx by Molmil
Crystal Structure of Human Gamma-Glutamyl Transpeptidase--Glutamate complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:West, M.B, Chen, Y, Wickham, S, Heroux, A, Cahill, K, Hanigan, M.H, Mooers, B.H.M.
Deposit date:2012-08-01
Release date:2013-09-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Novel Insights into Eukaryotic gamma-Glutamyltranspeptidase 1 from the Crystal Structure of the Glutamate-bound Human Enzyme.
J.Biol.Chem., 288, 2013
4FXL
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BU of 4fxl by Molmil
Crystal structure of the D76N Beta-2 Microglobulin mutant
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Ricagno, S, Bellotti, V, Pepys, M.B, Stoppini, M, Bolognesi, M.
Deposit date:2012-07-03
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Hereditary systemic amyloidosis due to Asp76Asn variant beta-2-microglobulin.
N.Engl.J.Med., 366, 2012
4G5H
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BU of 4g5h by Molmil
Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product
Descriptor: Capsular polysaccharide synthesis enzyme Cap8E, FORMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Miyafusa, T, Caaveiro, J.M.M, Tanaka, Y, Tsumoto, K.
Deposit date:2012-07-18
Release date:2013-08-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Dynamic elements govern the catalytic activity of CapE, a capsular polysaccharide-synthesizing enzyme from Staphylococcus aureus.
Febs Lett., 587, 2013
4GMZ
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BU of 4gmz by Molmil
Structure of rat cytosolic PEPCK Ld_2g in complex with Beta-Sulfopyruvate and GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
Authors:Johnson, T.A, Holyoak, T.
Deposit date:2012-08-16
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function.
Biochemistry, 51, 2012
4G6Z
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BU of 4g6z by Molmil
Crystal structure of a glutamyl-tRNA synthetase GluRS from Burkholderia thailandensis bound to L-glutamate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-07-19
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
4FSK
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BU of 4fsk by Molmil
Urate oxidase-azide complex in anaerobic conditions
Descriptor: AZIDE ION, SODIUM ION, Uricase
Authors:Gabison, L, Colloc'h, N, El Hajji, M, Castro, B, Chiadmi, M, Prange, T.
Deposit date:2012-06-27
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Azide and Cyanide Have Different Inhibition Modes of Urate Oxidase
To be Published
4FUD
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BU of 4fud by Molmil
Crystal Structure of the Urokinase
Descriptor: 8-aminonaphthalene-2-carboximidamide, SODIUM ION, SUCCINIC ACID, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Urokinase
to be published
4GG1
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BU of 4gg1 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403T
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-04
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4H88
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BU of 4h88 by Molmil
Structure of POM1 FAB fragment complexed with mouse PrPc Fragment 120-230
Descriptor: Major prion protein, POM1 FAB CHAIN H, POM1 FAB CHAIN L, ...
Authors:Baral, P.K, Wieland, B, Swayampakula, M, James, M.N.
Deposit date:2012-09-21
Release date:2013-07-31
Last modified:2013-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The toxicity of antiprion antibodies is mediated by the flexible tail of the prion protein.
Nature, 501, 2013
4HHD
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BU of 4hhd by Molmil
2.75 Angstrom resolution crystal structure of the A. thaliana LOV2 domain with an extended N-terminal A' helix (cryo dark structure)
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-1, SODIUM ION
Authors:Halavaty, A.S, Moffat, K.
Deposit date:2012-10-09
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Coiled-coil dimerization of the LOV2 domain of the blue-light photoreceptor phototropin 1 from Arabidopsis thaliana.
Acta Crystallogr.,Sect.F, 69, 2013
4HIL
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BU of 4hil by Molmil
1.25A Resolution Structure of Rat Type B Cytochrome b5
Descriptor: Cytochrome b5 type B, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Lovell, S, Battaile, K.P, Parthasarathy, S, Sun, N, Terzyan, S, Zhang, X, Rivera, M, Kuczera, K, Benson, D.R.
Deposit date:2012-10-11
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25A Resolution Structure of Rat Type B Cytochrome b5
To be Published
4HTQ
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BU of 4htq by Molmil
Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 6.70 x 10e+11 X-ray photons
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Duke, N.E.C, Finfrock, Y.Z, Stern, E.Z, Alkire, R.W, Lazarski, K, Joachimiak, A.
Deposit date:2012-11-01
Release date:2013-05-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
4HU7
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BU of 4hu7 by Molmil
E. coli thioredoxin variant with Pro76 as single proline residue
Descriptor: COPPER (II) ION, SODIUM ION, Thioredoxin-1
Authors:Glockshuber, R, Scharer, M.A, Capitani, G, Rubini, M.
Deposit date:2012-11-02
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:(4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Chembiochem, 14, 2013
4HQX
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BU of 4hqx by Molmil
CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4)
Descriptor: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
Authors:Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
Deposit date:2012-10-26
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012

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