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1ZLX
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BU of 1zlx by Molmil
The apo structure of human glycinamide ribonucleotide transformylase
Descriptor: GLYCEROL, Phosphoribosylglycinamide formyltransferase
Authors:Dahms, T.E, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L.
Deposit date:2005-05-09
Release date:2005-08-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
3VYT
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BU of 3vyt by Molmil
Crystal structure of the HypC-HypD-HypE complex (form I inward)
Descriptor: CHLORIDE ION, Hydrogenase expression/formation protein HypC, Hydrogenase expression/formation protein HypD, ...
Authors:Watanabe, S, Miki, K.
Deposit date:2012-10-02
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures of the HypCD complex and the HypCDE ternary complex: transient intermediate complexes during [NiFe] hydrogenase maturation
Structure, 20, 2012
6Y2S
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BU of 6y2s by Molmil
Escherichia coli R318A RnlA endoribonuclease (single alanine mutant of RnlA)
Descriptor: mRNA endoribonuclease toxin LS
Authors:Garcia-Rodriguez, G, Loris, R.
Deposit date:2020-02-17
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Quaternary structure changes control ribonuclease activity of RnlA toxin.
To Be Published
6DM7
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BU of 6dm7 by Molmil
NMR structure for Sp1 transcription factor duplex 5'-d(GGGGCGGGG)
Descriptor: DNA (5'-D(*CP*CP*CP*CP*GP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*G)-3')
Authors:Davis, E.V, Hennig, M, Arya, D.P.
Deposit date:2018-06-04
Release date:2019-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences
To Be Published
3VYR
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BU of 3vyr by Molmil
Crystal structure of the HypC-HypD complex
Descriptor: CITRIC ACID, Hydrogenase expression/formation protein HypC, Hydrogenase expression/formation protein HypD, ...
Authors:Watanabe, S, Miki, K.
Deposit date:2012-10-02
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures of the HypCD complex and the HypCDE ternary complex: transient intermediate complexes during [NiFe] hydrogenase maturation
Structure, 20, 2012
6DN4
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BU of 6dn4 by Molmil
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif
Descriptor: Beta-lactamase
Authors:Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
Deposit date:2018-06-06
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
Descriptor: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
3NO0
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BU of 3no0 by Molmil
Aquifex aeolicus type IIA topoisomerase C-terminal domain
Descriptor: DNA gyrase subunit A, GLYCEROL, NITRATE ION
Authors:Tretter, E.M, Lerman, J.C, Berger, J.M.
Deposit date:2010-06-24
Release date:2010-12-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3004 Å)
Cite:A naturally chimeric type IIA topoisomerase in Aquifex aeolicus highlights an evolutionary path for the emergence of functional paralogs.
Proc.Natl.Acad.Sci.USA, 107, 2010
3VYS
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BU of 3vys by Molmil
Crystal structure of the HypC-HypD-HypE complex (form I)
Descriptor: Hydrogenase expression/formation protein HypC, Hydrogenase expression/formation protein HypD, Hydrogenase expression/formation protein HypE, ...
Authors:Watanabe, S, Miki, K.
Deposit date:2012-10-02
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of the HypCD complex and the HypCDE ternary complex: transient intermediate complexes during [NiFe] hydrogenase maturation
Structure, 20, 2012
6DXM
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BU of 6dxm by Molmil
NMR structure for Sp1 transcription factor duplex 5'-d(TGGGCGGGG)
Descriptor: DNA (5'-D(*CP*CP*CP*CP*GP*CP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*GP*CP*GP*GP*GP*G)-3')
Authors:Davis, E.V, Hennig, M, Arya, D.P.
Deposit date:2018-06-29
Release date:2019-07-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences
To Be Published
6DVT
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BU of 6dvt by Molmil
NMR structure for Sp1 transcription factor duplex 5'-d(GGGGCGGGA)
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*GP*CP*CP*CP*C)-3')
Authors:Davis, E.V, Hennig, M, Arya, D.P.
Deposit date:2018-06-25
Release date:2019-07-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences
To Be Published
5XOA
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BU of 5xoa by Molmil
Thanatin M21F in complex with LPS
Descriptor: Thanatin
Authors:Sinha, S, Bhattacharyya, S.
Deposit date:2017-05-27
Release date:2018-06-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin M21F in complex with LPS
To Be Published
1A69
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BU of 1a69 by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH FORMYCIN B AND SULPHATE (PHOSPHATE)
Descriptor: FORMYCIN B, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Koellner, G, Luic, M, Shugar, D, Saenger, W, Bzowska, A.
Deposit date:1998-03-08
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ternary complex of E. coli purine nucleoside phosphorylase with formycin B, a structural analogue of the substrate inosine, and phosphate (Sulphate) at 2.1 A resolution.
J.Mol.Biol., 280, 1998
3IRX
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BU of 3irx by Molmil
Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
Descriptor: (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H
Authors:Ho, W.C, Arnold, E.
Deposit date:2009-08-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
J.Med.Chem., 52, 2009
6EN6
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BU of 6en6 by Molmil
Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor.
Descriptor: (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D.
Deposit date:2017-10-04
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme.
J. Med. Chem., 61, 2018
3VYU
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BU of 3vyu by Molmil
Crystal structure of the HypC-HypD-HypE complex (form II)
Descriptor: Hydrogenase expression/formation protein HypC, Hydrogenase expression/formation protein HypD, Hydrogenase expression/formation protein HypE, ...
Authors:Watanabe, S, Miki, K.
Deposit date:2012-10-02
Release date:2012-11-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structures of the HypCD complex and the HypCDE ternary complex: transient intermediate complexes during [NiFe] hydrogenase maturation
Structure, 20, 2012
5WDO
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BU of 5wdo by Molmil
H-Ras bound to GMP-PNP at 277K
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
Deposit date:2017-07-05
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5WF6
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BU of 5wf6 by Molmil
Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
Authors:White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
6ED9
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BU of 6ed9 by Molmil
NMR structure for Sp1 transcription factor duplex 5'-d(TGGGCGGGA)
Descriptor: DNA (5'-D(*TP*CP*CP*CP*GP*CP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*GP*CP*GP*GP*GP*A)-3')
Authors:Davis, E.V, Hennig, M, Arya, D.P.
Deposit date:2018-08-09
Release date:2019-08-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences
To Be Published
3KF5
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BU of 3kf5 by Molmil
Structure of invertase from Schwanniomyces occidentalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Invertase
Authors:Sanz-Aparicio, J, Polo, A.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
5YR5
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BU of 5yr5 by Molmil
Human methionine aminopeptidase type 1b (F309L mutant) in complex with Ovalicin
Descriptor: 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ...
Authors:Pillalamarri, V, Arya, T, Addlagatta, A.
Deposit date:2017-11-08
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
4I36
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BU of 4i36 by Molmil
Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A
Descriptor: 6-phosphofructokinase
Authors:Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
Deposit date:2012-11-25
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
3KDM
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BU of 3kdm by Molmil
Crystal Structure of Human Anti-steroid Fab 5F2 in Complex with Testosterone
Descriptor: Immunoglobulin heavy chain, Immunoglobulin light chain, TESTOSTERONE
Authors:Niemi, M.H, Rouvinen, J.
Deposit date:2009-10-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The testosterone binding mechanism of an antibody derived from a naive human scFv library
J.Mol.Recognit., 24, 2010
3KF3
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BU of 3kf3 by Molmil
Structure of fructofuranosidase from Schwanniomyces occidentalis complexed with fructose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Invertase, beta-D-fructofuranose
Authors:Sanz-Aparicio, J, Polo, A.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
3KDZ
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BU of 3kdz by Molmil
X-ray crystal structure of a tyrosine aminomutase mutant construct with bound ligand
Descriptor: Histidine ammonia-lyase, TYROSINE
Authors:Cooke, H.A, Bruner, S.D.
Deposit date:2009-10-23
Release date:2010-07-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the active site of MIO-dependent aminomutases, key catalysts in the biosynthesis of beta-amino acids incorporated in secondary metabolites
Biopolymers, 93, 2010

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