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4FJC
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BU of 4fjc by Molmil
Structure of the SAGA Ubp8/Sgf11(1-72, Delta-ZnF)/Sus1/Sgf73 DUB module
Descriptor: GLYCEROL, Protein SUS1, SAGA-associated factor 11, ...
Authors:Samara, N.L, Ringel, A.E, Wolberger, C.
Deposit date:2012-06-11
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.826 Å)
Cite:A Role for Intersubunit Interactions in Maintaining SAGA Deubiquitinating Module Structure and Activity.
Structure, 20, 2012
4FK2
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BU of 4fk2 by Molmil
RB69 DNA polymerase ternary complex with dTTP/dG
Descriptor: CALCIUM ION, DNA polymerase, DNA primer, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-06-12
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
6XGO
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BU of 6xgo by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J34 immobile Holliday junction
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*TP*GP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*AP*CP*TP*CP*CP*AP*CP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2020-06-17
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
6XGM
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BU of 6xgm by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J25 immobile Holliday junction
Descriptor: COBALT (II) ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*CP*CP*GP*TP*CP*TP*GP*C)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2020-06-17
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
4FKK
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BU of 4fkk by Molmil
Crystal structure of porcine aminopeptidase-N complexed with bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.L, Peng, G, Li, F.
Deposit date:2012-06-13
Release date:2012-10-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for multifunctional roles of mammalian aminopeptidase N.
Proc.Natl.Acad.Sci.USA, 109, 2012
3V01
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BU of 3v01 by Molmil
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S.
Deposit date:2011-12-07
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
4FLF
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BU of 4flf by Molmil
Structure of three phase partition treated lipase from Thermomyces lanuginosa at 2.15A resolution.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, ...
Authors:Kumar, M, Mukherjee, J, Sinha, M, Kaur, P, Gupta, M.N, Sharma, S, Singh, T.P.
Deposit date:2012-06-14
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enhancement of stability of a lipase by subjecting to three phase partitioning (TPP): structures of native and TPP-treated lipase from Thermomyces lanuginosa
Sustain Chem Process, 2015
8EUA
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BU of 8eua by Molmil
Structure of SARS-CoV2 PLpro bound to a covalent inhibitor
Descriptor: Papain-like protease nsp3, SULFATE ION, ZINC ION, ...
Authors:Mathews, I.I, Pokhrel, S, Wakatsuki, S.
Deposit date:2022-10-18
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
4FLR
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BU of 4flr by Molmil
Crystal structure of Amylosucrase double mutant A289P-F290L from Neisseria polysaccharea
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ...
Authors:Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S.
Deposit date:2012-06-15
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
3UNP
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BU of 3unp by Molmil
Structure of human SUN2 SUN domain
Descriptor: ACETYL GROUP, SUN domain-containing protein 2
Authors:Zhou, Z.C, Greene, M.I.
Deposit date:2011-11-16
Release date:2011-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure of Sad1-UNC84 homology (SUN) domain defines features of molecular bridge in nuclear envelope
J.Biol.Chem., 287, 2012
8F24
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BU of 8f24 by Molmil
Mirror-image RNA octamer containing 2'-OMe-L-uridine
Descriptor: Mirror-image RNA 0G-XEC-0G-0U-0A-0C-0A-0C, SULFATE ION
Authors:Dantsu, Y, Zhang, W.
Deposit date:2022-11-07
Release date:2023-04-12
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization.
Chembiochem, 24, 2023
3V2Z
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BU of 3v2z by Molmil
Nitrite Bound Chlorin Substituted Myoglobin- Method 2
Descriptor: Fe(III) pyropheophorbide-a methyl ester, Myoglobin, NITRITE ION, ...
Authors:Yi, J, Thomas, L.M, Ricther-Addo, G.B.
Deposit date:2011-12-12
Release date:2012-11-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Distal pocket control of nitrite binding in myoglobin
Angew.Chem.Int.Ed.Engl., 51, 2012
4FR9
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BU of 4fr9 by Molmil
Crystal structure of a BLIP-like protein (BF1215) from Bacteroides fragilis NCTC 9343 at 1.20 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-06-26
Release date:2012-10-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a hypothetical protein (BF1215) from Bacteroides fragilis NCTC 9343 at 1.20 A resolution
To be published
8F27
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BU of 8f27 by Molmil
Mirror-image DNA containing 2'-OMe-L-uridine residue
Descriptor: Mirror-image DNA (5'-D(*(0DG)P*(0MU)P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DA)P*(0DC))-3'), SULFATE ION
Authors:Zhang, W, Dantsu, Y.
Deposit date:2022-11-07
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization.
Chembiochem, 24, 2023
4FRR
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BU of 4frr by Molmil
X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
Descriptor: 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine, GLYCEROL, Soluble acetylcholine receptor
Authors:Mukhopadhyay, S, Mesecar, A.D.
Deposit date:2012-06-26
Release date:2013-10-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
To be Published
4FMI
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BU of 4fmi by Molmil
Merkel cell polyomavirus VP1 in complex with 3'-sialyllactosamine
Descriptor: CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
Authors:Neu, U, Hengel, H, Stehle, T.
Deposit date:2012-06-17
Release date:2012-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
3V3Z
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BU of 3v3z by Molmil
I(L177)H mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides
Descriptor: 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Shuvalov, V.A.
Deposit date:2011-12-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The site-directed mutation I(L177)H in Rhodobacter sphaeroides reaction center affects coordination of P(A) and B(B) bacteriochlorophylls.
Biochim.Biophys.Acta, 1817, 2012
4FOT
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BU of 4fot by Molmil
Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-06-21
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
3V4E
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BU of 3v4e by Molmil
Crystal Structure of the galactoside O-acetyltransferase in complex with CoA
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, Galactoside O-acetyltransferase, ...
Authors:Knapik, A.A, Shumilin, I.A, Luo, H.-B, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-12-14
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biophysical analysis of the putative acetyltransferase SACOL2570 from methicillin-resistant Staphylococcus aureus.
J.Struct.Funct.Genom., 14, 2013
3V4Z
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BU of 3v4z by Molmil
D-alanine--D-alanine ligase from Yersinia pestis
Descriptor: D-alanine--D-alanine ligase, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
Authors:Osipiuk, J, Nocek, B, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-12-15
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:D-alanine--D-alanine ligase from Yersinia pestis.
To be Published
4FPV
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BU of 4fpv by Molmil
Crystal structure of D. rerio TDP2 complexed with single strand DNA product
Descriptor: DNA (5'-D(P*TP*GP*CP*AP*G)-3'), GLYCEROL, MAGNESIUM ION, ...
Authors:Shi, K, Kurahashi, K, Aihara, H.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
3V58
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BU of 3v58 by Molmil
Crystal Structure of the B-phycoerythrin from the red algae Porphyridium Cruentum at pH5
Descriptor: PHYCOERYTHROBILIN, Phycoerythrin alpha subunit, Phycoerythrin beta subunit, ...
Authors:Camara-Artigas, A.
Deposit date:2011-12-16
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:pH-dependent structural conformations of B-phycoerythrin from Porphyridium cruentum
Febs J., 279, 2012
3V1L
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BU of 3v1l by Molmil
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400
Descriptor: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONIC ACID
Authors:Ghosh, S, Bolin, J.T.
Deposit date:2011-12-09
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
6XGN
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BU of 6xgn by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J33 immobile Holliday junction
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*TP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*CP*AP*GP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*AP*CP*AP*GP*CP*AP*CP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2020-06-17
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012

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