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3IMU
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Transthyretin in complex with (E)-4-(3-aminostyryl)-2,6-dibromoaniline
Descriptor: 4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2009-08-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
J.Am.Chem.Soc., 132, 2010
3IMV
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BU of 3imv by Molmil
Transthyretin in complex with (E)-4-(4-aminostyryl)-2,6-dibromoaniline
Descriptor: 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2009-08-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
J.Am.Chem.Soc., 132, 2010
3L2M
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BU of 3l2m by Molmil
X-ray Crystallographic Analysis of Pig Pancreatic Alpha-Amylase with Alpha-cyclodextrin
Descriptor: CALCIUM ION, CHLORIDE ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Larson, S.B, Day, J.S, McPherson, A.
Deposit date:2009-12-15
Release date:2010-04-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:X-ray crystallographic analyses of pig pancreatic alpha-amylase with limit dextrin, oligosaccharide, and alpha-cyclodextrin.
Biochemistry, 49, 2010
3KRS
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BU of 3krs by Molmil
Structure of Triosephosphate Isomerase from Cryptosporidium Parvum at 1.55A Resolution
Descriptor: SODIUM ION, Triosephosphate isomerase, UNKNOWN ATOM OR ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-11-19
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of triosephosphate isomerase from Cryptosporidium parvum.
Acta Crystallogr.,Sect.F, 67, 2011
3L2L
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BU of 3l2l by Molmil
X-ray Crystallographic Analysis of Pig Pancreatic Alpha-Amylase with Limit Dextrin and Oligosaccharide
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
Authors:Larson, S.B, Day, J.S, McPherson, A.
Deposit date:2009-12-15
Release date:2010-04-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:X-ray crystallographic analyses of pig pancreatic alpha-amylase with limit dextrin, oligosaccharide, and alpha-cyclodextrin.
Biochemistry, 49, 2010
3RJ6
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BU of 3rj6 by Molmil
Crystal Structure of Horse heart ferric myoglobin; K45E/K63E/K96E mutant
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Smith, S.M, Rosenzweig, A.C.
Deposit date:2011-04-15
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
J.Am.Chem.Soc., 138, 2016
3USQ
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BU of 3usq by Molmil
Structure of D159S/Y194F glycogenin mutant truncated at residue 270
Descriptor: CHLORIDE ION, GLYCEROL, Glycogenin-1
Authors:Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
Deposit date:2011-11-23
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
3R44
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BU of 3r44 by Molmil
Mycobacterium tuberculosis fatty acyl CoA synthetase
Descriptor: HISTIDINE, MALONATE ION, fatty acyl CoA synthetase FADD13 (FATTY-ACYL-CoA SYNTHETASE)
Authors:Andersson, C.S, Martinez Molina, D, Hogbom, M.
Deposit date:2011-03-17
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Mycobacterium tuberculosis Very-Long-Chain Fatty Acyl-CoA Synthetase: Structural Basis for Housing Lipid Substrates Longer than the Enzyme.
Structure, 20, 2012
3RLG
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Crystal structure of Loxosceles intermedia phospholipase D isoform 1 H12A mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Giuseppe, P.O, Ullah, A, Veiga, S.S, Murakami, M.T, Arni, R.K.
Deposit date:2011-04-19
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of a class II phospholipase D from Loxosceles intermedia venom.
Acta Crystallogr.,Sect.F, 67, 2011
3U1H
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Crystal structure of IPMDH from the last common ancestor of Bacillus
Descriptor: 3-isopropylmalate dehydrogenase
Authors:Haaning, S, Hobbs, J.K, Monk, C.R, Arcus, V.L.
Deposit date:2011-09-29
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the Origin and Evolution of Thermophily: Reconstruction of Functional Precambrian Enzymes from Ancestors of Bacillus
MOL.BIOL.EVOL., 2011
3RQC
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BU of 3rqc by Molmil
Crystal structure of the catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from Thermoplasma acidophilum
Descriptor: Probable lipoamide acyltransferase
Authors:Marrott, N.L, Crennell, S.J, Hough, D.W, Danson, M.J, van den Elsen, J.M.H.
Deposit date:2011-04-28
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:The catalytic core of an archaeal 2-oxoacid dehydrogenase multienzyme complex is a 42-mer protein assembly.
Febs J., 279, 2012
3V56
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Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide.
Descriptor: BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B
Authors:Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
Deposit date:2011-12-16
Release date:2012-03-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
3URP
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BU of 3urp by Molmil
Re-refinement of PDB entry 5RNT - ribonuclease T1 with guanosine-3',5'-diphosphate and phosphate ion bound
Descriptor: GUANOSINE-3',5'-DIPHOSPHATE, Guanyl-specific ribonuclease T1, PHOSPHATE ION, ...
Authors:Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
Deposit date:2011-11-22
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
3SYU
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BU of 3syu by Molmil
Re-refined coordinates for pdb entry 1det - ribonuclease T1 carboxymethylated at GLU 58 in complex with 2'GMP
Descriptor: GUANOSINE-2'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1, SODIUM ION, ...
Authors:Smart, O.S, Womack, T.O, Bricogne, G.
Deposit date:2011-07-18
Release date:2012-03-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
4X3P
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BU of 4x3p by Molmil
Sirt2 in complex with a myristoyl peptide
Descriptor: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Wang, Y, Zhang, W, Hao, Q.
Deposit date:2014-12-01
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
5I4Z
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BU of 5i4z by Molmil
Structure of apo OmoMYC
Descriptor: CHLORIDE ION, GLYCEROL, Myc proto-oncogene protein, ...
Authors:Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C.
Deposit date:2016-02-13
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
7NPN
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BU of 7npn by Molmil
B-brick bare in 5 mM Mg2+
Descriptor: SCAFFOLD STRAND, STAPLE STRAND
Authors:Bertosin, E, Stoemmer, P, Feigl, E, Wenig, M, Honemann, M, Dietz, H.
Deposit date:2021-02-27
Release date:2021-03-31
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (10.38 Å)
Cite:Cryo-Electron Microscopy and Mass Analysis of Oligolysine-Coated DNA Nanostructures.
Acs Nano, 15, 2021
7NWN
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BU of 7nwn by Molmil
A carbohydrate binding module family 9 (CBM9) from Caldicellulsiruptor kristjanssonii
Descriptor: 1,2-ETHANEDIOL, Beta-xylanase, CALCIUM ION, ...
Authors:Krska, D, Mazurkewich, S, Navarro Poulsen, J, Larsbrink, J, Lo Leggio, L.
Deposit date:2021-03-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii .
Biochemistry, 60, 2021
1C9E
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BU of 1c9e by Molmil
STRUCTURE OF FERROCHELATASE WITH COPPER(II) N-METHYLMESOPORPHYRIN COMPLEX BOUND AT THE ACTIVE SITE
Descriptor: MAGNESIUM ION, N-METHYLMESOPORPHYRIN CONTAINING COPPER, PROTOHEME FERROLYASE
Authors:Lecerof, D, Fodje, M.N, Hansson, A, Hansson, M, Al-Karadaghi, S.
Deposit date:1999-08-02
Release date:2000-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and mechanistic basis of porphyrin metallation by ferrochelatase.
J.Mol.Biol., 297, 2000
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
Descriptor: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.258 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
6Q54
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BU of 6q54 by Molmil
Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(1-ethyl-4-hydroxy-1H-1,2,3-triazol-5-yl)propanoic acid at 1.4 A resolution
Descriptor: (2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, CITRIC ACID, ...
Authors:Moellerud, S, Temperini, P, Kastrup, J.S.
Deposit date:2018-12-07
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
J.Med.Chem., 62, 2019
6Q60
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Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution
Descriptor: (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Moellerud, S, Temperini, P, Kastrup, J.S.
Deposit date:2018-12-10
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
J.Med.Chem., 62, 2019
1IWD
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BU of 1iwd by Molmil
Proposed Amino Acid Sequence and the 1.63 Angstrom X-ray Crystal Structure of a Plant Cysteine Protease Ervatamin B: Insight into the Structural Basis of its Stability and Substrate Specificity.
Descriptor: ERVATAMIN B, THIOSULFATE
Authors:Chakrabarti, C, Biswas, S, Dattagupta, J.K.
Deposit date:2002-05-02
Release date:2003-05-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Proposed amino acid sequence and the 1.63 A X-ray crystal structure of a plant cysteine protease, ervatamin B: Some insights into the structural basis of its stability and substrate specificity
Proteins, 51, 2003
4TW1
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BU of 4tw1 by Molmil
Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH
Descriptor: Possible leukocidin subunit
Authors:Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E.
Deposit date:2014-06-29
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH.
J.Biol.Chem., 290, 2015
1C41
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CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY
Descriptor: 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, LUMAZINE SYNTHASE, SULFATE ION
Authors:Persson, K, Schneider, G, Jordan, D.B, Viitanen, P.V, Sandalova, T.
Deposit date:1999-08-03
Release date:2000-08-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly
Protein Sci., 8, 1999

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