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1ZB7
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BU of 1zb7 by Molmil
Crystal Structure of Botulinum Neurotoxin Type G Light Chain
Descriptor: CITRATE ANION, ZINC ION, neurotoxin
Authors:Arndt, J.W, Yu, W, Bi, F, Stevens, R.C.
Deposit date:2005-04-07
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of botulinum neurotoxin type g light chain: serotype divergence in substrate recognition
Biochemistry, 44, 2005
3ODY
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BU of 3ody by Molmil
Crystal structure of p38alpha Y323Q active mutant
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Livnah, O, Tzarum, N.
Deposit date:2010-08-12
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation.
J.Mol.Biol., 405, 2011
1ZXY
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BU of 1zxy by Molmil
Anthranilate Phosphoribosyltransferase from Sulfolobus solfataricus in complex with PRPP and Magnesium
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION
Authors:Marino, M, Deuss, M, Sterner, R, Mayans, O.
Deposit date:2005-06-09
Release date:2006-05-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural and mutational analysis of substrate complexation by anthranilate phosphoribosyltransferase from Sulfolobus solfataricus.
J.Biol.Chem., 281, 2006
1ZZN
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BU of 1zzn by Molmil
Crystal structure of a group I intron/two exon complex that includes all catalytic metal ion ligands.
Descriptor: 197-MER, 5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*GP*AP*CP*GP*GP*CP*C)-3', 5'-R(*CP*AP*(5MU))-3', ...
Authors:Stahley, M.R, Strobel, S.A.
Deposit date:2005-06-14
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Structural evidence for a two-metal-ion mechanism of group I intron splicing.
Science, 309, 2005
2A2A
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BU of 2a2a by Molmil
High-resolution crystallographic analysis of the autoinhibited conformation of a human death-associated protein kinase
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Death-associated protein kinase 2, ...
Authors:Kursula, P, Wilmanns, M.
Deposit date:2005-06-22
Release date:2006-10-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Death-Associated Protein Kinase Activity Is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites
Structure, 2016
1GRX
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BU of 1grx by Molmil
STRUCTURE OF E. COLI GLUTAREDOXIN
Descriptor: GLUTAREDOXIN, GLUTATHIONE
Authors:Bushweller, J.H, Billeter, M, Holmgren, L.A, Wuthrich, K.
Deposit date:1993-10-01
Release date:1994-01-31
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:NMR structure of oxidized Escherichia coli glutaredoxin: comparison with reduced E. coli glutaredoxin and functionally related proteins.
Protein Sci., 1, 1992
6XUA
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BU of 6xua by Molmil
Human myelin protein P2 mutant K21Q
Descriptor: CITRIC ACID, Myelin P2 protein, PALMITIC ACID
Authors:Ruskamo, S, Lehtimaki, M, Kursula, P.
Deposit date:2020-01-17
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XW9
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BU of 6xw9 by Molmil
Human myelin protein P2 mutant K120S
Descriptor: CHLORIDE ION, Myelin P2 protein, PALMITIC ACID
Authors:Ruskamo, S, Lehtimaki, M, Kursula, P.
Deposit date:2020-01-23
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6TYH
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BU of 6tyh by Molmil
Four-Disulfide Insulin Analog A22/B22
Descriptor: ACETONE, CHLORIDE ION, GLYCEROL, ...
Authors:Blakely, A.D, Xiong, X.
Deposit date:2019-08-08
Release date:2019-11-13
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.600019 Å)
Cite:Novel four-disulfide insulin analog with high aggregation stability and potency.
Chem Sci, 11, 2020
3V4J
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BU of 3v4j by Molmil
First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G
Descriptor: 4-[methyl(nitroso)amino]benzene-1,2-diol, DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION
Authors:Shandilya, S.M.D, Ali, A, Schiffer, C.A.
Deposit date:2011-12-15
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
6XZ8
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BU of 6xz8 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide
Descriptor: Cytochrome P450 11B2, mitochondrial, HEME C, ...
Authors:Kuglstatter, A, Joseph, C, Benz, J.
Deposit date:2020-02-03
Release date:2020-06-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6U57
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BU of 6u57 by Molmil
KDO8PS Structure Determined at the EuXFEL using Segmented Flow Injection
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase
Authors:Botha, S, Ros, A.
Deposit date:2019-08-27
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Segmented flow generator for serial crystallography at the European X-ray free electron laser.
Nat Commun, 11, 2020
6U48
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BU of 6u48 by Molmil
E. coli 50S with phazolicin (PHZ) bound in exit tunnel
Descriptor: 23S rRNA, 50S ribosomal protein bL17, 50S ribosomal protein bL19, ...
Authors:Watson, Z.L, Cate, J.H.D, Polikanov, Y.S, Severinov, K.
Deposit date:2019-08-23
Release date:2019-09-18
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structure of ribosome-bound azole-modified peptide phazolicin rationalizes its species-specific mode of bacterial translation inhibition.
Nat Commun, 10, 2019
6U4A
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BU of 6u4a by Molmil
BRD3-BD1 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 3, GLYCEROL, SULFATE ION, ...
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-24
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U6K
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BU of 6u6k by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-30
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XJR
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BU of 6xjr by Molmil
Crystal Structure of KPT-185 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
6U71
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BU of 6u71 by Molmil
BRD2-BD2 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 2, cyclic peptide 3.1_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XLI
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BU of 6xli by Molmil
CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE
Descriptor: GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ...
Authors:Malia, T.J, Teplyakov, A, Luo, J.
Deposit date:2020-06-28
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
3V9O
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BU of 3v9o by Molmil
Crystal structure of Dihydroneopterin aldolase (BTH_I0291) from Burkholderia thailendensis bound to guanine.
Descriptor: 1,2-ETHANEDIOL, Dihydroneopterin aldolase, GUANINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-27
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
6U8G
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BU of 6u8g by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
3VBE
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BU of 3vbe by Molmil
Crystal structure of beta-cyanoalanine synthase in soybean
Descriptor: PYRIDOXAL-5'-PHOSPHATE, beta-cyanoalnine synthase
Authors:Yi, H, Jez, J.M.
Deposit date:2012-01-02
Release date:2012-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Soybean beta-Cyanoalanine Synthase and the Molecular Basis for Cyanide Detoxification in Plants.
Plant Cell, 24, 2012
6U72
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BU of 6u72 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA
Descriptor: 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
1QX2
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BU of 1qx2 by Molmil
X-ray Structure of Calcium-loaded Calbindomodulin (A Calbindin D9k Re-engineered to Undergo a Conformational Opening) at 1.44 A Resolution
Descriptor: CALCIUM ION, Vitamin D-dependent calcium-binding protein, intestinal, ...
Authors:Bunick, C.G, Nelson, M.R, Mangahas, S, Mizoue, L.S, Bunick, G.J, Chazin, W.J.
Deposit date:2003-09-04
Release date:2004-05-25
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Designing Sequence to Control Protein Function in an EF-Hand Protein
J.Am.Chem.Soc., 126, 2004
6XZ9
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BU of 6xz9 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one
Descriptor: 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ...
Authors:Kuglstatter, A, Joseph, C, Benz, J.
Deposit date:2020-02-03
Release date:2020-06-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6XJU
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BU of 6xju by Molmil
Crystal Structure of KPT-8602 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ)
Descriptor: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021

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