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1B3I
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BU of 1b3i by Molmil
NMR SOLUTION STRUCTURE OF PLASTOCYANIN FROM THE PHOTOSYNTHETIC PROKARYOTE, PROCHLOROTHRIX HOLLANDICA (MINIMIZED AVERAGE STRUCTURE)
Descriptor: COPPER (I) ION, PROTEIN (PLASTOCYANIN)
Authors:Babu, C.R, Volkman, B.F, Bullerjahn, G.S.
Deposit date:1998-12-11
Release date:1999-04-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR solution structure of plastocyanin from the photosynthetic prokaryote, Prochlorothrix hollandica.
Biochemistry, 38, 1999
6DAK
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BU of 6dak by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DAS
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BU of 6das by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6KBN
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BU of 6kbn by Molmil
Crystal structure of Vac8 (del 19-33) bound to Atg13
Descriptor: Autophagy-related protein 13, Vacuolar protein 8
Authors:Park, J, Lee, C.
Deposit date:2019-06-25
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Quaternary structures of Vac8 differentially regulate the Cvt and PMN pathways.
Autophagy, 16, 2020
6DYX
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BU of 6dyx by Molmil
Structure of VHH R419 isolated from a pre-immune phage display library
Descriptor: ACETATE ION, SULFATE ION, VHH R419
Authors:Brooks, C.L.
Deposit date:2018-07-02
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a VHH isolated from a naive phage display library.
BMC Res Notes, 12, 2019
1AK6
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BU of 1ak6 by Molmil
DESTRIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DESTRIN
Authors:Hatanaka, H, Moriyama, K, Ogura, K, Ichikawa, S, Yahara, I, Inagaki, F.
Deposit date:1997-05-29
Release date:1997-11-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Tertiary structure of destrin and structural similarity between two actin-regulating protein families.
Cell(Cambridge,Mass.), 85, 1996
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
4DVZ
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BU of 4dvz by Molmil
Crystal structure of the Helicobacter pylori CagA oncoprotein
Descriptor: Cytotoxicity-associated immunodominant antigen
Authors:Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M.
Deposit date:2012-02-23
Release date:2012-07-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Tertiary structure-function analysis reveals the pathogenic signaling potentiation mechanism of Helicobacter pylori oncogenic effector CagA
Cell Host Microbe, 12, 2012
6QXL
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BU of 6qxl by Molmil
Crystal Structure of Pyruvate Kinase II (PykA) from Pseudomonas aeruginosa in complex with sodium malonate, magnesium and glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Abdelhamid, Y, Brear, P, Welch, M.
Deposit date:2019-03-07
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Evolutionary plasticity in the allosteric regulator-binding site of pyruvate kinase isoform PykA fromPseudomonas aeruginosa.
J.Biol.Chem., 294, 2019
1AG5
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BU of 1ag5 by Molmil
THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, DNA (5'-D(*CP*CP*AP*TP*CP*GP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*AP*GP*AP*TP*GP*G)-3')
Authors:Johnson, D.S, Stone, M.P.
Deposit date:1997-04-01
Release date:1997-09-17
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Refined solution structure of 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 opposite CpA in the complementary strand of an oligodeoxynucleotide duplex as determined by 1H NMR.
Biochemistry, 34, 1995
3HNV
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BU of 3hnv by Molmil
CS-35 Fab Complex with Oligoarabinofuranosyl Tetrasaccharide (branch part of Hexasaccharide)
Descriptor: CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-3)-alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside
Authors:Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S.
Deposit date:2009-06-01
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into antibody recognition of mycobacterial polysaccharides.
J.Mol.Biol., 392, 2009
3HNT
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BU of 3hnt by Molmil
CS-35 Fab complex with a linear, terminal oligoarabinofuranosyl tetrasaccharide from lipoarabinomannan
Descriptor: CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-5)-alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside
Authors:Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S.
Deposit date:2009-06-01
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into antibody recognition of mycobacterial polysaccharides.
J.Mol.Biol., 392, 2009
3HNS
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BU of 3hns by Molmil
CS-35 Fab Complex with Oligoarabinofuranosyl Hexasaccharide
Descriptor: CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-3)-[beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-5)]alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside
Authors:Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S.
Deposit date:2009-06-01
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into antibody recognition of mycobacterial polysaccharides.
J.Mol.Biol., 392, 2009
6MBB
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BU of 6mbb by Molmil
Human Bfl-1 in complex with the designed peptide dF1
Descriptor: Bcl-2-related protein A1, dF1
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
6M87
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BU of 6m87 by Molmil
Fab 10A6 in complex with MPTS
Descriptor: 8-methoxypyrene-1,3,6-trisulfonic acid, Fab 10A6 heavy chain, Fab 10A6 light chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2018-08-21
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:Structure and Dynamics of Stacking Interactions in an Antibody Binding Site.
Biochemistry, 58, 2019
3LE9
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BU of 3le9 by Molmil
Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor
Descriptor: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, ...
Authors:Orth, P.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6DAI
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BU of 6dai by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
1XO3
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BU of 1xo3 by Molmil
Solution Structure of Ubiquitin like protein from Mus Musculus
Descriptor: RIKEN cDNA 2900073H19
Authors:Singh, S, Tonelli, M, Tyler, R.C, Bahrami, A, Lee, M.S, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-10-05
Release date:2004-10-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of the AAH26994.1 protein from Mus musculus, a putative eukaryotic Urm1.
Protein Sci., 14, 2005
5G3Y
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BU of 5g3y by Molmil
Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC ION
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
6KBM
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BU of 6kbm by Molmil
Crystal structure of Vac8 bound to Atg13
Descriptor: Autophagy-related protein 13, Vacuolar protein 8
Authors:Park, J, Lee, C.
Deposit date:2019-06-25
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Quaternary structures of Vac8 differentially regulate the Cvt and PMN pathways.
Autophagy, 16, 2020
2GC4
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BU of 2gc4 by Molmil
Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution.
Descriptor: Amicyanin, COPPER (II) ION, Cytochrome c-L, ...
Authors:Chen, Z, Durley, R, Davidson, V.L, Mathews, F.S.
Deposit date:2006-03-13
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution.
To be Published
5IG3
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BU of 5ig3 by Molmil
Crystal structure of the human CaMKII-alpha hub
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha
Authors:McSpadden, E, Cao, Y.M, Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
6MBE
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BU of 6mbe by Molmil
Human Mcl-1 in complex with the designed peptide dM7
Descriptor: CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
5G41
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BU of 5g41 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn, Mg and Ap5A bound
Descriptor: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
6MBD
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BU of 6mbd by Molmil
Human Mcl-1 in complex with the designed peptide dM1
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019

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