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5AVJ
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BU of 5avj by Molmil
Crystal structure of proteinase K from Engyodontium album
Descriptor: CALCIUM ION, GLYCEROL, NITRATE ION, ...
Authors:Sugahara, M, Numata, K.
Deposit date:2015-06-17
Release date:2016-07-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Derivatization of Proteinase K with Heavy Atoms Enhances Its Thermal Stability.
Acs Catalysis, 6, 2016
4YTR
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BU of 4ytr by Molmil
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy L-tagatose
Descriptor: 1-deoxy-L-tagatose, 1-deoxy-beta-L-tagatopyranose, D-tagatose 3-epimerase, ...
Authors:Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2015-03-18
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
6CRB
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BU of 6crb by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dATP analogue
Descriptor: 9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine, DNA polymerase beta, Downstream Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2018-03-16
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5F88
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BU of 5f88 by Molmil
Cetuximab Fab in complex with L5Y meditope variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2015-12-09
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6CTL
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BU of 6ctl by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL-R/S isomers, beta, gamma dTTP analogue
Descriptor: 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2018-03-23
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
7ZIT
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BU of 7zit by Molmil
14-3-3 in complex with SARS-COV2 N phospho-peptide
Descriptor: 14-3-3 protein zeta/delta, ACETATE ION, BENZOIC ACID, ...
Authors:Eisenreichova, A, Boura, E.
Deposit date:2022-04-08
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural basis for SARS-CoV-2 nucleocapsid (N) protein recognition by 14-3-3 proteins.
J.Struct.Biol., 214, 2022
5BN0
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BU of 5bn0 by Molmil
A new HIV fusion peptide inhibitor
Descriptor: Envelope glycoprotein, Envelope glycoprotein gp160
Authors:Xue, Y.
Deposit date:2015-05-25
Release date:2016-05-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A new HIV fusion peptide inhibitor
To Be Published
5BN6
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BU of 5bn6 by Molmil
Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose
Descriptor: Jacalin, beta-D-galactopyranose
Authors:Vieira Neto, A.E, Pereira, H.M, Moreno, F.B.M.B, Moreira, A.C.O.M, Lobo, M.D.P, Sousa, F.D, Grangeiro, T.B, Moreira, R.A.
Deposit date:2015-05-25
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6499 Å)
Cite:Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose
To Be Published
4YQF
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BU of 4yqf by Molmil
GTPase domain of Human Septin 9
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-9
Authors:Matos, S.O, Leonardo, D.A, Macedo, J.N, Pereira, H.M, Araujo, A.P.U, Garratt, R.C.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:GTPase domain of Human Septin 9
To Be Published
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
5BOM
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BU of 5bom by Molmil
DNA polymerase beta binary complex with a templating 5ClC
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*(4U3)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'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-05-27
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0002 Å)
Cite:Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer.
Proc.Natl.Acad.Sci.USA, 112, 2015
2ALE
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BU of 2ale by Molmil
Crystal structure of yeast RNA splicing factor Snu13p
Descriptor: MAGNESIUM ION, NHP2/L7aE family protein YEL026W
Authors:Dobbyn, H.C, McEwan, P.A, Bella, J, O'Keefe, R.T.
Deposit date:2005-08-05
Release date:2006-10-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of pre-mRNA and pre-rRNA processing factor Snu13p structure and mutants.
Biochem.Biophys.Res.Commun., 360, 2007
6CDF
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BU of 6cdf by Molmil
Human CtBP1 (28-378)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Royer, W.E, Bellesis, A.G.
Deposit date:2018-02-08
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
6CG4
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BU of 6cg4 by Molmil
Covalently crosslinked trimer of a macrocyclic peptide derived from Abeta(17-36) - (ORN)LCVFFCED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-02-19
Release date:2018-05-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.083 Å)
Cite:Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
6CDR
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BU of 6cdr by Molmil
Human CtBP1 (28-378)
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
Authors:Royer, W.E, Bellesis, A.G.
Deposit date:2018-02-09
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
4YTQ
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BU of 4ytq by Molmil
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy D-tagatose
Descriptor: 1-deoxy-D-tagatose, 1-deoxy-alpha-D-tagatopyranose, D-tagatose 3-epimerase, ...
Authors:Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2015-03-18
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
7BDN
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BU of 7bdn by Molmil
Structure of the Streptomyces coelicolor small laccase - cubic crystal form
Descriptor: COPPER (II) ION, Putative copper oxidase
Authors:Zovo, K, Majumdar, S, Lukk, T.
Deposit date:2020-12-22
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2).
Acs Omega, 7, 2022
4Y7C
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BU of 4y7c by Molmil
rat CYPOR mutant - G141del/E142N
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-13
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
Descriptor: b11L5F_LGL
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
7BMC
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BU of 7bmc by Molmil
Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3.
Acs Chem.Biol., 17, 2022
5B5U
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BU of 5b5u by Molmil
Crystal structure of truncated Pyrococcus furiosus L-asparaginase with peptide
Descriptor: ASPARTIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Sharma, P, Tomar, R, Nath, S.K, Kundu, B, Ashish, F.
Deposit date:2016-05-23
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
5AVK
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BU of 5avk by Molmil
Crystal structure of proteinase K from Engyodontium album
Descriptor: GLYCEROL, NITRATE ION, PRASEODYMIUM ION, ...
Authors:Sugahara, M, Numata, K.
Deposit date:2015-06-17
Release date:2016-07-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Derivatization of Proteinase K with Heavy Atoms Enhances Its Thermal Stability.
Acs Catalysis, 6, 2016
8BXK
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BU of 8bxk by Molmil
Ntaya virus methyltransferase
Descriptor: Ntaya virus methyltransferase, SINEFUNGIN
Authors:Boura, E, Krafcikova, P.
Deposit date:2022-12-09
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Ntaya virus methyltransferase
To Be Published
6BOW
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BU of 6bow by Molmil
Human APE1 substrate complex with an T/T mismatch adjacent the THF
Descriptor: 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018

224004

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