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2RKN
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BU of 2rkn by Molmil
X-ray structure of the self-defense and signaling protein DIR1 from Arabidopsis taliana
Descriptor: (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, DIR1 protein, ZINC ION
Authors:Lascombe, M.B, Prange, T, Buhot, N, Marion, D, Bakan, B, Lamb, C.
Deposit date:2007-10-17
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of "defective in induced resistance" protein of Arabidopsis thaliana, DIR1, reveals a new type of lipid transfer protein.
Protein Sci., 17, 2008
2RKU
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BU of 2rku by Molmil
Structure of PLK1 in complex with BI2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ...
Authors:Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
Deposit date:2007-10-17
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selectivity-determining residues in Plk1.
Chem.Biol.Drug Des., 70, 2007
2STB
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BU of 2stb by Molmil
ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II)
Descriptor: CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN)
Authors:Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O.
Deposit date:1998-12-11
Release date:2000-01-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
2TSB
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BU of 2tsb by Molmil
AZURIN MUTANT M121A-AZIDE
Descriptor: AZIDE ION, AZURIN AZIDE, COPPER (II) ION
Authors:Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L.
Deposit date:1996-05-10
Release date:1996-11-08
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
2RPN
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BU of 2rpn by Molmil
A crucial role for high intrinsic specificity in the function of yeast SH3 domains
Descriptor: Actin-binding protein, Actin-regulating kinase 1
Authors:Stollar, E.J, Garcia, B, Chong, A, Forman-Kay, J, Davidson, A.
Deposit date:2008-06-12
Release date:2009-06-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural, functional, and bioinformatic studies demonstrate the crucial role of an extended peptide binding site for the SH3 domain of yeast Abp1p
J.Biol.Chem., 284, 2009
5BPC
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BU of 5bpc by Molmil
DNA polymerase beta ternary complex with a templating 5ClC and incoming dATP analog
Descriptor: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(CDO)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-05-28
Release date:2015-08-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer.
Proc.Natl.Acad.Sci.USA, 112, 2015
2RCX
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BU of 2rcx by Molmil
AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid
Descriptor: (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION
Authors:Morandi, F, Morandi, S, Prati, F, Shoichet, B.K.
Deposit date:2007-09-20
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors
Bioorg.Med.Chem., 16, 2008
2RDA
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BU of 2rda by Molmil
Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and Reactivity of Cys195
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Thymidylate synthase
Authors:Gibson, L.M, Lovelace, L.L, Lebioda, L.
Deposit date:2007-09-21
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The R163K mutant of human thymidylate synthase is stabilized in an active conformation: structural asymmetry and reactivity of cysteine 195.
Biochemistry, 47, 2008
2RED
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BU of 2red by Molmil
Crystal structures of C2ALPHA-PI3 kinase PX-domain domain indicate conformational change associated with ligand binding.
Descriptor: GLYCEROL, Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing alpha polypeptide
Authors:Parkinson, G.N, Vines, D, Driscoll, P.C, Djordjevic, S.
Deposit date:2007-09-26
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of PI3K-C2alpha PX domain indicate conformational change associated with ligand binding
Bmc Struct.Biol., 8, 2008
2D4A
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BU of 2d4a by Molmil
Structure of the malate dehydrogenase from Aeropyrum pernix
Descriptor: Malate dehydrogenase
Authors:Kawakami, R, Sakuraba, H, Tsuge, H, Ohshima, T.
Deposit date:2005-10-12
Release date:2006-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Refolding, characterization and crystal structure of (S)-malate dehydrogenase from the hyperthermophilic archaeon Aeropyrum pernix.
Biochim.Biophys.Acta, 1794, 2009
7AI5
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BU of 7ai5 by Molmil
MutS in Scanning state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*AP*AP*TP*TP*CP*GP*CP*CP*CP*TP*AP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*TP*AP*GP*GP*GP*CP*GP*AP*AP*TP*TP*GP*GP*GP*TP*AP*CP*CP*G)-3'), ...
Authors:Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H.
Deposit date:2020-09-26
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
2RER
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BU of 2rer by Molmil
Crystal structure of the aromatase/cyclase domain of TcmN from Streptomyces glaucescens
Descriptor: Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN
Authors:Ames, B.D, Korman, T.P, Vu, T.N, Tsai, S.C.
Deposit date:2007-09-26
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RFO
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BU of 2rfo by Molmil
Crystral Structure of the nucleoporin Nic96
Descriptor: Nucleoporin NIC96
Authors:Schrader, N, Stelter, P, Flemming, D, Kunze, K, Hurt, E, Vetter, I.R.
Deposit date:2007-10-01
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the nic96 subcomplex organization in the nuclear pore channel.
Mol.Cell, 29, 2008
5BTS
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BU of 5bts by Molmil
Structural and biophysical characterization of a covalent insulin dimer formed during storage of neutral formulation of human insulin
Descriptor: Insulin A chain, Insulin B chain
Authors:Norrman, M, Hjorth, C.F.
Deposit date:2015-06-03
Release date:2016-03-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure, Aggregation, and Activity of a Covalent Insulin Dimer Formed During Storage of Neutral Formulation of Human Insulin.
J.Pharm.Sci., 105, 2016
7ANT
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BU of 7ant by Molmil
Structure of CYP153A from Polaromonas sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, HEME C
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G.
Deposit date:2020-10-12
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
2RDJ
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BU of 2rdj by Molmil
Snapshots of a Y-family DNA polymerase in replication: Dpo4 in apo and binary/ternary complex forms
Descriptor: CALCIUM ION, DNA (5'-D(*DGP*DGP*DGP*DAP*DCP*DCP*DCP*DTP*DTP*DCP*DGP*DAP*DAP*DT)-3'), DNA (5'-D(P*DTP*DAP*DTP*DTP*DCP*DGP*DAP*DAP*DGP*DGP*DGP*DTP*DCP*DCP*DC)-3'), ...
Authors:Wong, J.H.Y, Ling, H.
Deposit date:2007-09-24
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of a Y-family DNA polymerase in replication: substrate-induced conformational transitions and implications for fidelity of Dpo4.
J.Mol.Biol., 379, 2008
7B73
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BU of 7b73 by Molmil
Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR
Authors:Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A.
Deposit date:2020-12-09
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
2RH5
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BU of 2rh5 by Molmil
Structure of Apo Adenylate Kinase from Aquifex Aeolicus
Descriptor: Adenylate kinase
Authors:Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
Deposit date:2007-10-05
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
7AGH
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BU of 7agh by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with AMPPNP-Mg
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Sulfofructose kinase
Authors:Sharma, M, Davies, G.J, Jin, Y.
Deposit date:2020-09-22
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG7
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BU of 7ag7 by Molmil
Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate bound at the active site
Descriptor: SULFATE ION, Sulfofructosephosphate aldolase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AO7
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BU of 7ao7 by Molmil
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
Descriptor: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G.
Deposit date:2020-10-13
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
7AG4
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BU of 7ag4 by Molmil
Crystal structure of active site mutant of SQ Isomerase (YihS-H248A) from Salmonella enterica in complex with sulfofructose (SF)
Descriptor: 6-deoxy-6-sulfo-D-fructose, Sulfoquinovose isomerase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
2RFF
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BU of 2rff by Molmil
Crystal structure of a putative nucleotidyltransferase (NP_343093.1) from Sulfolobus solfataricus at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, Putative nucleotidyltransferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-09-28
Release date:2007-10-16
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a putative nucleotidyltransferase (NP_343093.1) from Sulfolobus solfataricus at 1.40 A resolution
To be published
2RFK
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BU of 2rfk by Molmil
Substrate RNA Positioning in the Archaeal H/ACA Ribonucleoprotein Complex
Descriptor: Probable tRNA pseudouridine synthase B, Ribosome biogenesis protein Nop10, Small nucleolar rnp similar to gar1, ...
Authors:Liang, B, Xue, S, Terns, R.M, Terns, M.P, Li, H, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2007-09-30
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Substrate RNA positioning in the archaeal H/ACA ribonucleoprotein complex.
Nat.Struct.Mol.Biol., 14, 2007
7AGB
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BU of 7agb by Molmil
Protease Sapp1p from Candida parapsilosis in complex with KB70
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Candidapepsin, ...
Authors:Dostal, J, Heidingsfeld, O, Brynda, J.
Deposit date:2020-09-22
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021

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