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1J4I
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BU of 1j4i by Molmil
crystal structure analysis of the FKBP12 complexed with 000308 small molecule
Descriptor: 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
3KWG
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BU of 3kwg by Molmil
X-ray structure of NS1 effector domain W187A mutant
Descriptor: Non-structural protein 1
Authors:Xia, S, Robertus, J.D.
Deposit date:2009-12-01
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:X-ray structures of NS1 effector domain mutants.
Arch.Biochem.Biophys., 494, 2010
6LHN
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BU of 6lhn by Molmil
RLGSGG-AtPRT6 UBR box
Descriptor: E3 ubiquitin-protein ligase PRT6, ZINC ION
Authors:Kim, L, Kwon, D.H, Song, H.K.
Deposit date:2019-12-09
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Use of the LC3B-fusion technique for biochemical and structural studies of proteins involved in the N-degron pathway.
J.Biol.Chem., 295, 2020
7MIR
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BU of 7mir by Molmil
Cryo-EM structure of SidJ-SdeA-CaM reaction intermediate complex
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Osinski, A, Black, M.H, Pawlowski, K, Chen, Z, Li, Y, Tagliabracci, V.S.
Deposit date:2021-04-17
Release date:2021-08-18
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural and mechanistic basis for protein glutamylation by the kinase fold.
Mol.Cell, 81, 2021
7MIS
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BU of 7mis by Molmil
Cryo-EM structure of SidJ-SdeC-CaM reaction intermediate complex
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Osinski, A, Black, M.H, Pawlowski, K, Chen, Z, Li, Y, Tagliabracci, V.S.
Deposit date:2021-04-17
Release date:2021-08-18
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural and mechanistic basis for protein glutamylation by the kinase fold.
Mol.Cell, 81, 2021
5XAB
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BU of 5xab by Molmil
Complete structure factors and an atomic model of the calcium pump (SERCA1A) and associated phospholipids in the E2(TG) crystals
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Norimatsu, Y, Hasegawa, K, Shimizu, N, Toyoshima, C.
Deposit date:2017-03-11
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Protein-phospholipid interplay revealed with crystals of a calcium pump.
Nature, 545, 2017
2ZIN
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BU of 2zin by Molmil
Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with BocLys and an ATP analogue
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, N~6~-(tert-butoxycarbonyl)-L-lysine, ...
Authors:Yanagisawa, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-02-19
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Multistep Engineering of Pyrrolysyl-tRNA Synthetase to Genetically Encode N(varepsilon)-(o-Azidobenzyloxycarbonyl) lysine for Site-Specific Protein Modification
Chem.Biol., 15, 2008
1M0W
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BU of 1m0w by Molmil
Yeast Glutathione Synthase Bound to gamma-glutamyl-cysteine, AMP-PNP and 2 Magnesium Ions
Descriptor: GAMMA-GLUTAMYLCYSTEINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Gogos, A, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-06-14
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Large Conformational Changes in the Catalytic Cycle of Glutathione Synthase
Structure, 10, 2002
4AQ7
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BU of 4aq7 by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and leucyl-adenylate analogue in the aminoacylation conformation
Descriptor: E. COLI TRNALEU UAA ISOACCEPTOR, LEUCINE, LEUCINE--TRNA LIGASE, ...
Authors:Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
Deposit date:2012-04-13
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
1J4H
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BU of 1j4h by Molmil
crystal structure analysis of the FKBP12 complexed with 000107 small molecule
Descriptor: 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
2CBM
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BU of 2cbm by Molmil
Crystal structure of the apo-form of a neocarzinostatin mutant evolved to bind testosterone.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NEOCARZINOSTATIN
Authors:Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P.
Deposit date:2006-01-06
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
5FFL
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BU of 5ffl by Molmil
Crystal structure of mouse CD300lf at 1.6 Angstroms resolution.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CD300 antigen-like family member F, ...
Authors:Nelson, C.A, Fremont, D.H.
Deposit date:2015-12-18
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Discovery of a proteinaceous cellular receptor for a norovirus.
Science, 353, 2016
2QD0
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BU of 2qd0 by Molmil
Crystal structure of mitoNEET
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1
Authors:Lin, J, Zhou, T, Ye, K, Wang, J.
Deposit date:2007-06-20
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of human mitoNEET reveals distinct groups of iron sulfur proteins.
Proc.Natl.Acad.Sci.Usa, 104, 2007
8JXZ
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BU of 8jxz by Molmil
Chitin binding SusD-like protein AqSusD in complex with (GlcNAc)3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SusD-like protein AqSusD
Authors:Yang, J.
Deposit date:2023-07-01
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition.
Febs J., 291, 2024
6KZU
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BU of 6kzu by Molmil
Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality
Descriptor: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
Authors:Jiang, S, Brown, C.J.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
4AUQ
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BU of 4auq by Molmil
Structure of BIRC7-UbcH5b-Ub complex.
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ...
Authors:Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
Deposit date:2012-05-21
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.176 Å)
Cite:Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer.
Nat.Struct.Mol.Biol., 19, 2012
6B07
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BU of 6b07 by Molmil
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid (inhibitor 1d)
Descriptor: 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium, Farnesyl diphosphate synthase, ...
Authors:Picard, M.-E, Cusson, M, Shi, R.
Deposit date:2017-09-13
Release date:2017-12-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
4R64
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BU of 4r64 by Molmil
Binary complex crystal structure of E295K mutant of DNA polymerase Beta
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*AP*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:Batra, V.K, Beard, W.A, Wilson, S.H.
Deposit date:2014-08-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
4QY3
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BU of 4qy3 by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID
Descriptor: 2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2014-07-23
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Out of the active site binding pocket for carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 51, 2014
4QT6
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BU of 4qt6 by Molmil
Crystal structure of the SPRY domain of human HERC1
Descriptor: FORMAMIDE, Probable E3 ubiquitin-protein ligase HERC1, UNKNOWN ATOM OR ION
Authors:Dong, A, Hu, J, Guan, X, Wernimont, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2015-01-07
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of the SPRY domain of human HERC1
To be Published
4R66
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BU of 4r66 by Molmil
Ternary complex crystal structure of E295K mutant of DNA polymerase Beta
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 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, Beard, W.A, Wilson, S.H.
Deposit date:2014-08-22
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
6YSA
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BU of 6ysa by Molmil
Crystal structure of Arabidopsis thaliana legumain isoform beta in zymogen state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SULFATE ION, ...
Authors:Dall, E, Zauner, F.B, Brandstetter, H.
Deposit date:2020-04-21
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and functional studies ofArabidopsis thalianalegumain beta reveal isoform specific mechanisms of activation and substrate recognition.
J.Biol.Chem., 295, 2020
1BGP
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BU of 1bgp by Molmil
CRYSTAL STRUCTURE OF BARLEY GRAIN PEROXIDASE 1
Descriptor: BARLEY GRAIN PEROXIDASE, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Henriksen, A.
Deposit date:1997-07-24
Release date:1997-11-12
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of barley grain peroxidase refined at 1.9-A resolution. A plant peroxidase reversibly inactivated at neutral pH.
J.Biol.Chem., 273, 1998
6SJ4
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BU of 6sj4 by Molmil
Amidohydrolase, AHS with substrate analog
Descriptor: 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)carbonyloxybenzoic acid, Amidohydrolase, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
4RF7
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BU of 4rf7 by Molmil
Crystal structure of double-domain arginine kinase from Anthopleura japonicas in complex with substrate L-arginine
Descriptor: ACETATE ION, ARGININE, Arginine kinase
Authors:Wang, Z, Qiao, Z, Ye, S, Zhang, R.
Deposit date:2014-09-25
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a double-domain phosphagen kinase reveals an asymmetric arrangement of the tandem domains.
Acta Crystallogr.,Sect.D, 71, 2015

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