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3D1P
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BU of 3d1p by Molmil
Atomic resolution structure of uncharacterized protein from Saccharomyces cerevisiae
Descriptor: ACETATE ION, CHLORIDE ION, Putative thiosulfate sulfurtransferase YOR285W
Authors:Nocek, B, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-05-06
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structure of uncharacterized protein from Saccharomyces cerevisiae.
To be Published
2O21
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BU of 2o21 by Molmil
Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand
Descriptor: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2
Authors:Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
6W4T
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BU of 6w4t by Molmil
APE1 Y269A phosphorothioate substrate complex with abasic DNA
Descriptor: DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Hoitsma, N.M.
Deposit date:2020-03-11
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:AP-endonuclease 1 sculpts DNA through an anchoring tyrosine residue on the DNA intercalating loop.
Nucleic Acids Res., 48, 2020
4TZ3
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BU of 4tz3 by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritetraose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose, ...
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-07-09
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
3D2Y
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BU of 3d2y by Molmil
Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the substrate anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys
Descriptor: Anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys, GLYCEROL, N-acetylmuramoyl-L-alanine amidase amiD
Authors:Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P.
Deposit date:2008-05-09
Release date:2009-06-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family.
J.Mol.Biol., 397, 2010
1T6L
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BU of 1t6l by Molmil
Crystal Structure of the Human Cytomegalovirus DNA Polymerase Subunit, UL44
Descriptor: DNA polymerase processivity factor
Authors:Appleton, B.A, Loregian, A, Filman, D.J, Coen, D.M, Hogle, J.M.
Deposit date:2004-05-06
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Cytomegalovirus DNA Polymerase Subunit UL44 Forms a C Clamp-Shaped Dimer.
Mol.Cell, 15, 2004
1TJ0
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BU of 1tj0 by Molmil
Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669) co-crystallized with L-lactate
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Bifunctional putA protein, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tanner, J.J, Zhang, M, White, T.A, Schuermann, J.P, Baban, B.A, Becker, D.F.
Deposit date:2004-06-02
Release date:2004-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the Escherichia coli PutA proline dehydrogenase domain in complex with competitive inhibitors
Biochemistry, 43, 2004
4KEC
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BU of 4kec by Molmil
SbHCT-complex form
Descriptor: (3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid, COENZYME A, Hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyl transferase
Authors:Walker, A.M, Hayes, R.P, Youn, B, Vermerris, W, Sattler, S.E, Kang, C.
Deposit date:2013-04-25
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Elucidation of the structure and reaction mechanism of sorghum hydroxycinnamoyltransferase and its structural relationship to other coenzyme a-dependent transferases and synthases.
Plant Physiol., 162, 2013
7FHE
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BU of 7fhe by Molmil
Structure of prenyltransferase mutant Q295F from Streptomyces sp. (strain CL190)
Descriptor: Prenyltransferase
Authors:Xue, B, Lim, K.J.H, Hartono, Y.D, Go, M.D.K, Fan, H, Yew, W.S.
Deposit date:2021-07-29
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Engineering of Prenyltransferase NphB for High-Yield and Regioselective Cannabinoid Production.
Acs Catalysis, 12, 2022
7FHC
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BU of 7fhc by Molmil
Structure of prenyltransferase mutant V49W from Streptomyces sp. (strain CL190)
Descriptor: Prenyltransferase
Authors:Xue, B, Lim, K.J.H, Hartono, Y.D, Go, M.D.K, Fan, H, Yew, W.S.
Deposit date:2021-07-29
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure-Guided Engineering of Prenyltransferase NphB for High-Yield and Regioselective Cannabinoid Production.
Acs Catalysis, 12, 2022
4KEK
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BU of 4kek by Molmil
Crystal structure of mouse Ryanodine Receptor 2 (1-217) disease mutant R176Q
Descriptor: Ryanodine receptor 2, SULFATE ION
Authors:Kimlicka, L, Van Petegem, F.
Deposit date:2013-04-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.146 Å)
Cite:Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic alpha-Helix That Transitions to a beta-Strand in a Mutant Linked with a Heritable Cardiomyopathy.
J.Mol.Biol., 425, 2013
1TK5
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BU of 1tk5 by Molmil
T7 DNA polymerase binary complex with 8 oxo guanosine in the templating strand
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*CP*CP*CP*(8OG)P*CP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', 5'-D(*CP*GP*AP*AP*A*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*(DDG)P*TP*GP*CP*AP*A)-3', ...
Authors:Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T.
Deposit date:2004-06-08
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase.
Embo J., 23, 2004
7FHB
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BU of 7fhb by Molmil
Structure of prenyltransferase from Streptomyces sp. (strain CL190) with bound GPP
Descriptor: GERANYL DIPHOSPHATE, Prenyltransferase
Authors:Xue, B, Lim, K.J.H, Hartono, Y.D, Go, M.D.K, Fan, H, Yew, W.S.
Deposit date:2021-07-29
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Engineering of Prenyltransferase NphB for High-Yield and Regioselective Cannabinoid Production.
Acs Catalysis, 12, 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
1T79
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BU of 1t79 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLW motif
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxLW motif peptide
Authors:Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
Deposit date:2004-05-08
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
3D49
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BU of 3d49 by Molmil
Thrombin Inhibition
Descriptor: BENZAMIDINE, Hirudin variant-1, SODIUM ION, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2008-05-14
Release date:2009-04-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Understanding Thrombin Inhibition
To be Published
1T21
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BU of 1t21 by Molmil
Structural basis for degenerate recognition of HIV peptide variants by cytotoxic lymphocyte, variant SL9, monoclinic crystal
Descriptor: Beta-2-microglobulin, GAG PEPTIDE, HLA class I histocompatibility antigen, ...
Authors:Martinez-Hackert, E, Anikeeva, N, Kalams, S.A, Walker, B.D, Hendrickson, W.A, Sykulev, Y.
Deposit date:2004-04-19
Release date:2005-09-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Basis for Degenerate Recognition of Natural HIV Peptide Variants by Cytotoxic Lymphocytes.
J.Biol.Chem., 281, 2006
7F5D
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BU of 7f5d by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
Descriptor: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57150865 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
8PZK
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BU of 8pzk by Molmil
Crystal structure of the Orange Carotenoid Protein 2 (OCP2) from Gloeocapsa sp. PCC 7428
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, GLYCEROL, ...
Authors:Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Maksimov, E.G, Popov, V.O, Sluchanko, N.N.
Deposit date:2023-07-27
Release date:2024-01-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural framework for the understanding spectroscopic and functional signatures of the cyanobacterial Orange Carotenoid Protein families.
Int.J.Biol.Macromol., 254, 2024
4KLF
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BU of 4klf by Molmil
DNA polymerase beta matched reactant complex with Mg2+, 20 s
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', ...
Authors:Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
Deposit date:2013-05-07
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
1T45
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BU of 1t45 by Molmil
STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE
Descriptor: Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog
Authors:Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P.
Deposit date:2004-04-28
Release date:2004-06-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase.
J.Biol.Chem., 279, 2004
7FHF
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BU of 7fhf by Molmil
Structure of prenyltransferase mutant V49W/Y288F/Q295F from Streptomyces sp. (strain CL190)
Descriptor: Prenyltransferase
Authors:Xue, B, Lim, K.J.H, Hartono, Y.D, Go, M.D.K, Fan, H, Yew, W.S.
Deposit date:2021-07-29
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Engineering of Prenyltransferase NphB for High-Yield and Regioselective Cannabinoid Production.
Acs Catalysis, 12, 2022
6ZLM
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BU of 6zlm by Molmil
Dihydrolipoyllysine-residue acetyltransferase component of fungal pyruvate dehydrogenase complex with protein X bound
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, Pyruvate dehydrogenase X component
Authors:Forsberg, B.O, Aibara, S, Howard, R.J, Mortezaei, N, Lindahl, E.
Deposit date:2020-06-30
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex.
Nat Commun, 11, 2020
3CSP
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BU of 3csp by Molmil
Crystal structure of the DM2 mutant of myelin oligodendrocyte glycoprotein
Descriptor: Myelin-oligodendrocyte glycoprotein
Authors:Breithaupt, C, Schafer, B, Pellkofer, H, Huber, R, Linington, C, Jacob, U.
Deposit date:2008-04-10
Release date:2008-10-21
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Demyelinating myelin oligodendrocyte glycoprotein-specific autoantibody response is focused on one dominant conformational epitope region in rodents
J.Immunol., 181, 2008
2OCB
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BU of 2ocb by Molmil
Crystal structure of human RAB9B in complex with a GTP analogue
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-9B, ...
Authors:Hong, B, Shen, L, Walker, J.R, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-12-20
Release date:2007-01-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human RAB9B in complex with a GTP analogue
To be Published

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