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2YFC
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BU of 2yfc by Molmil
STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, COMPLEXED WITH Mn and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Goncalves, A.M.D, De Sanctis, D, Mcsweeney, S.M.
Deposit date:2011-04-05
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
1EE1
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BU of 1ee1 by Molmil
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE ATP, TWO MOLECULES DEAMIDO-NAD+ AND ONE MG2+ ION
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) SYNTHETASE, ...
Authors:Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, Delucas, L.
Deposit date:2000-01-28
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
5BKM
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BU of 5bkm by Molmil
Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
Descriptor: Carboxylesterase A
Authors:Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
Deposit date:2021-03-20
Release date:2022-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
To Be Published
1EOV
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BU of 1eov by Molmil
FREE ASPARTYL-TRNA SYNTHETASE (ASPRS) (E.C. 6.1.1.12) FROM YEAST
Descriptor: ASPARTYL-TRNA SYNTHETASE
Authors:Sauter, C, Lorber, B, Cavarelli, J, Moras, D, Giege, R.
Deposit date:2000-03-24
Release date:2000-09-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The free yeast aspartyl-tRNA synthetase differs from the tRNA(Asp)-complexed enzyme by structural changes in the catalytic site, hinge region, and anticodon-binding domain.
J.Mol.Biol., 299, 2000
1XRG
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BU of 1xrg by Molmil
Conserved hypothetical protein from Clostridium thermocellum Cth-2968
Descriptor: Putative translation initiation inhibitor, yjgF family, UNKNOWN ATOM OR ION
Authors:Zhao, M, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Zhang, H, Arendall III, W.B, Ljundahl, L, Liu, Z.-J, Rose, J, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-10-14
Release date:2004-12-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conserved hypothetical protein from Clostridium thermocellum Cth-2968
To be published
1XMA
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BU of 1xma by Molmil
Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
Descriptor: MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION
Authors:Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-10-01
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
To be published
1P83
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BU of 1p83 by Molmil
NMR STRUCTURE OF 1-25 FRAGMENT OF MYCOBACTERIUM TUBERCULOSIS CPN10
Descriptor: 10 kDa chaperonin
Authors:Ciutti, A, Spiga, O, Giannozzi, E, Scarselli, M, Di Maro, D, Calamandrei, D, Niccolai, N, Bernini, A.
Deposit date:2003-05-06
Release date:2003-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of 1-25 fragment of Cpn10 from Mycobacterium Tuberculosis
To be Published
3AGM
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BU of 3agm by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670
Descriptor: N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A.
Deposit date:2010-04-02
Release date:2010-09-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
1XHL
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BU of 1xhl by Molmil
Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
Descriptor: 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ...
Authors:Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-20
Release date:2004-09-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
2EXH
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BU of 2exh by Molmil
Structure of the family43 beta-Xylosidase from geobacillus stearothermophilus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Brux, C, Niefind, K, Shallom-Shezifi, D, Yuval, S, Schomburg, D.
Deposit date:2005-11-08
Release date:2006-04-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Structure of an Inverting GH43 beta-Xylosidase from Geobacillus stearothermophilus with its Substrate Reveals the Role of the Three Catalytic Residues.
J.Mol.Biol., 359, 2006
2EZ2
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BU of 2ez2 by Molmil
Apo tyrosine phenol-lyase from Citrobacter freundii at pH 8.0
Descriptor: PHOSPHATE ION, POTASSIUM ION, Tyrosine phenol-lyase
Authors:Milic, D, Matkovic-Calogovic, D, Demidkina, T.V, Antson, A.A.
Deposit date:2005-11-10
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of apo- and holo-tyrosine phenol-lyase reveal a catalytically critical closed conformation and suggest a mechanism for activation by K+ ions
Biochemistry, 45, 2006
4B00
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BU of 4b00 by Molmil
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41)
Descriptor: 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1
Authors:Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
3CBO
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BU of 3cbo by Molmil
SET7/9-ER-AdoHcy complex
Descriptor: BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ...
Authors:Cheng, X, Jia, D.
Deposit date:2008-02-22
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
5CCA
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BU of 5cca by Molmil
Crystal structure of Mtb toxin
Descriptor: Endoribonuclease MazF3
Authors:Cascio, D, Arbing, M, de Serrano, V, Eisenberg, D, Miallau, L, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-01
Release date:2016-09-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Mtb toxin
To Be Published
3CBM
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BU of 3cbm by Molmil
SET7/9-ER-AdoMet complex
Descriptor: BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ...
Authors:Cheng, X, Jia, D.
Deposit date:2008-02-22
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
3GF3
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BU of 3gf3 by Molmil
Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum co-crystallized with glutaconyl-coA
Descriptor: CHLORIDE ION, CROTONYL COENZYME A, Glutaconyl-CoA decarboxylase subunit A
Authors:Kress, D, Brugel, D, Buckel, W, Essen, L.-O.
Deposit date:2009-02-26
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases
J.Biol.Chem., 284, 2009
2H3X
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BU of 2h3x by Molmil
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes Faecalis (Form 3)
Descriptor: Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION
Authors:Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S.
Deposit date:2006-05-23
Release date:2006-11-21
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
2Y7X
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BU of 2y7x by Molmil
The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs
Descriptor: 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
1W60
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BU of 1w60 by Molmil
NATIVE HUMAN PCNA
Descriptor: PROLIFERATING CELL NUCLEAR ANTIGEN
Authors:Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.
Deposit date:2004-08-11
Release date:2005-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
3X0W
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BU of 3x0w by Molmil
Crystal structure of PLEKHM1 LIR-fused human LC3B_2-119
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Suzuki, H, McEwan, D.G, Popovic, D, Gubas, A, Terawaki, S, Stadel, D, Coxon, F, Stegmann, D.M, Bhogaraju, S, Maddi, K, Kirchhoff, A, Gatti, E, Helfrich, M.H, Behrends, C, Pierre, P, Dikic, I, Wakatsuki, S.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:PLEKHM1 regulates autophagosome-lysosome fusion through HOPS complex and LC3/GABARAP proteins.
Mol.Cell, 57, 2015
3GMA
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BU of 3gma by Molmil
Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum co-crystallized with glutaryl-CoA
Descriptor: Glutaconyl-CoA decarboxylase subunit A, glutaryl-coenzyme A
Authors:Kress, D, Brugel, D, Buckel, W, Essen, L.-O.
Deposit date:2009-03-13
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases
J.Biol.Chem., 284, 2009
5ZB5
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BU of 5zb5 by Molmil
The structural basis of histone chaperoneVps75
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NAP family histone chaperone vps75
Authors:Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D.
Deposit date:2018-02-09
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
6B9W
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BU of 6b9w by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Franco-Bodek, D.
Deposit date:2017-10-11
Release date:2018-09-26
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
6BAM
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BU of 6bam by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Flores-Solis, D.
Deposit date:2017-10-13
Release date:2018-09-26
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
2CJA
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BU of 2cja by Molmil
Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N.
Deposit date:2006-03-30
Release date:2006-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition
Embo J., 25, 2006

238582

数据于2025-07-09公开中

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