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7ZN5
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BU of 7zn5 by Molmil
Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C2 symmetry.
Descriptor: DNA (48-MER), PLP-dependent aminotransferase family protein
Authors:Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M.
Deposit date:2022-04-20
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
2DSM
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BU of 2dsm by Molmil
NMR Structure of Bacillus Subtilis Protein YqaI, Northeast Structural Genomics Target SR450
Descriptor: Hypothetical protein yqaI
Authors:Ramelot, T.A, Cort, J.R, Wang, D, Janua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-07-01
Release date:2006-08-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR Structure of Bacillus Subtilis Protein YqaI, Northeast Structural Genomics Target SR450
to be published
2E4G
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BU of 2e4g by Molmil
RebH with bound L-Trp
Descriptor: TRYPTOPHAN, Tryptophan halogenase
Authors:Blasiak, L.C, Drennan, C.L.
Deposit date:2006-12-07
Release date:2007-02-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Chlorination by a long-lived intermediate in the mechanism of flavin-dependent halogenases
Biochemistry, 46, 2007
2BJM
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BU of 2bjm by Molmil
SPE7:Anthrone Complex
Descriptor: ANTHRONE, IGE SPE7 HEAVY CHAIN, IGE SPE7 LIGHT CHAIN
Authors:James, L.C, Tawfik, D.S.
Deposit date:2005-02-04
Release date:2005-08-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Kinetics of a Transient Antibody Binding Intermediate Reveal a Kinetic Discrimination Mechanism in Antigen Recognition
Proc.Natl.Acad.Sci.USA, 102, 2005
2C8V
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BU of 2c8v by Molmil
Insights into the role of nucleotide-dependent conformational change in nitrogenase catalysis: Structural characterization of the nitrogenase Fe protein Leu127 deletion variant with bound MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, ...
Authors:Sen, S, Krishnakumar, A, McClead, J, Johnson, M.K, Seefeldt, L.C, Szilagyi, R.K, Peters, J.W.
Deposit date:2005-12-08
Release date:2006-06-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into the Role of Nucleotide-Dependent Conformational Change in Nitrogenase Catalysis: Structural Characterization of the Nitrogenase Fe Protein Leu127 Deletion Variant with Bound Mgatp.
J.Inorg.Biochem., 100, 2006
2FJ6
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BU of 2fj6 by Molmil
Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391.
Descriptor: Hypothetical UPF0346 protein yozE
Authors:Rossi, P, Acton, T.B, Cunningham, K.E, Ma, L.C, Shetty, K, Swapna, G.V.T, Xiao, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-12-31
Release date:2006-02-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391.
To be Published
2EST
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BU of 2est by Molmil
Crystallographic study of the binding of a trifluoroacetyl dipeptide anilide inhibitor with elastase
Descriptor: 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide, ELASTASE, SULFATE ION
Authors:Sieker, L.C, Hughes, D.L.
Deposit date:1986-03-24
Release date:1986-05-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic study of the binding of a trifluoroacetyl dipeptide anilide inhibitor with elastase.
J.Mol.Biol., 162, 1982
2FCU
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BU of 2fcu by Molmil
SyrB2 with alpha-ketoglutarate
Descriptor: ((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-2-YL)METHYL NONANOATE, 2-OXOGLUTARIC ACID, syringomycin biosynthesis enzyme 2
Authors:Blasiak, L.C, Drennan, C.L.
Deposit date:2005-12-12
Release date:2006-03-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the non-haem iron halogenase SyrB2 in syringomycin biosynthesis.
Nature, 440, 2006
2FCT
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BU of 2fct by Molmil
SyrB2 with Fe(II), chloride, and alpha-ketoglutarate
Descriptor: ((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-2-YL)METHYL NONANOATE, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Blasiak, L.C, Drennan, C.L.
Deposit date:2005-12-12
Release date:2006-03-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the non-haem iron halogenase SyrB2 in syringomycin biosynthesis.
Nature, 440, 2006
2FMS
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BU of 2fms by Molmil
DNA Polymerase beta with a gapped DNA substrate and dUMPNPP with magnesium in the catalytic site
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
2FMQ
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BU of 2fmq by Molmil
Sodium in active site of DNA Polymerase Beta
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
2FVT
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BU of 2fvt by Molmil
NMR Structure of the Rpa2829 protein from Rhodopseudomonas palustris: Northeast Structural Genomics Target RpR43
Descriptor: conserved hypothetical protein
Authors:Cort, J.R, Ho, C.K, Cunningham, K, Ma, L.C, Conover, K, Xiao, R, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-01-31
Release date:2006-02-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR Structure of the Rpa2829 protein from Rhodopseudomonas palustris
To be Published
2FMP
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BU of 2fmp by Molmil
DNA Polymerase beta with a terminated gapped DNA substrate and ddCTP with sodium in the catalytic site
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
2FCV
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BU of 2fcv by Molmil
SyrB2 with Fe(II), bromide, and alpha-ketoglutarate
Descriptor: ((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-2-YL)METHYL NONANOATE, 2-OXOGLUTARIC ACID, BROMIDE ION, ...
Authors:Blasiak, L.C, Drennan, C.L.
Deposit date:2005-12-12
Release date:2006-03-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the non-haem iron halogenase SyrB2 in syringomycin biosynthesis.
Nature, 440, 2006
2FFG
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BU of 2ffg by Molmil
Novel x-ray structure of the YkuJ protein from Bacillus subtilis. Northeast Structural Genomics target SR360.
Descriptor: ykuJ
Authors:Kuzin, A.P, Abashidze, M, Forouhar, F, Vorobiev, S.M, Ho, C.K, Janjua, H, Cunningham, K, Conover, K, Ma, L.C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-12-19
Release date:2005-12-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Novel x-ray structure of the YkuJ protein from Bacillus subtilis. Northeast Structural Genomics target SR360.
To be Published
2H30
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BU of 2h30 by Molmil
Crystal structure of the N-terminal domain of PilB from Neisseria gonorrhoeae
Descriptor: Peptide methionine sulfoxide reductase msrA/msrB
Authors:Brot, N, Collet, J.F, Johnson, L.C, Jonsson, T.J, Weissbach, H, Lowther, W.T.
Deposit date:2006-05-20
Release date:2006-08-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Thioredoxin Domain of Neisseria gonorrhoeae PilB Can Use Electrons from DsbD to Reduce Downstream Methionine Sulfoxide Reductases.
J.Biol.Chem., 281, 2006
2GZO
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BU of 2gzo by Molmil
NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39
Descriptor: UPF0301 protein SO3346
Authors:Singarapu, K.K, Liu, G, Eletsky, A, Xu, D, Sukumaran, D.K, Mei, J, Xiao, R, Cunningham, K, Ma, L.C, Ritu, S, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-11
Release date:2006-06-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39
To be Published
4GBI
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BU of 4gbi by Molmil
Crystal structure of aspart insulin at pH 6.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
4GBL
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BU of 4gbl by Molmil
Crystal structure of aspart insulin at pH 8.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
3OB4
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BU of 3ob4 by Molmil
MBP-fusion protein of the major peanut allergen Ara h 2
Descriptor: CHLORIDE ION, Maltose ABC transporter periplasmic protein,Arah 2, SULFATE ION, ...
Authors:Mueller, G.A, Gosavi, R.A, Moon, A.F, London, R.E, Pedersen, L.C.
Deposit date:2010-08-06
Release date:2011-02-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Ara h 2: crystal structure and IgE binding distinguish two subpopulations of peanut allergic patients by epitope diversity.
Allergy, 66, 2011
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
Deposit date:2012-11-09
Release date:2012-12-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
3OTS
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BU of 3ots by Molmil
MDR769 HIV-1 protease complexed with MA/CA hepta-peptide
Descriptor: MA/CA substrate peptide, Multi-drug resistant HIV-1 protease
Authors:Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
Deposit date:2010-09-13
Release date:2011-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OTY
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BU of 3oty by Molmil
MDR769 HIV-1 protease complexed with RT/RH hepta-peptide
Descriptor: MDR HIV-1 protease, RT/RH substrate peptide
Authors:Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
Deposit date:2010-09-14
Release date:2011-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OUA
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BU of 3oua by Molmil
MDR769 HIV-1 protease complexed with p1/p6 hepta-peptide
Descriptor: HIV-1 protease, p1/p6 substrate peptide
Authors:Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
Deposit date:2010-09-14
Release date:2011-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OWV
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BU of 3owv by Molmil
Structural insights into catalytic and substrate binding mechanisms of the strategic EndA nuclease from Streptococcus pneumoniae
Descriptor: CHLORIDE ION, DNA-entry nuclease, MAGNESIUM ION
Authors:Moon, A.F, Midon, M, Meiss, G, Pingoud, A.M, London, R.E, Pedersen, L.C.
Deposit date:2010-09-20
Release date:2010-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into catalytic and substrate binding mechanisms of the strategic EndA nuclease from Streptococcus pneumoniae.
Nucleic Acids Res., 39, 2011

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