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1QH7
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CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLASES: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMIDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE
Descriptor: XYLANASE, beta-D-xylopyranose
Authors:Sabini, E, Sulzenbacher, G, Dauter, M, Dauter, Z, Jorgensen, P.L, Schulein, M, Dupont, C, Davies, G.J, Wilson, K.S.
Deposit date:1999-05-11
Release date:2000-05-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Catalysis and specificity in enzymatic glycoside hydrolysis: a 2,5B conformation for the glycosyl-enzyme intermediate revealed by the structure of the Bacillus agaradhaerens family 11 xylanase.
Chem.Biol., 6, 1999
1Q6A
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Solution Structure of the C-terminal Domain of Thermosynechococcus elongatus KaiA (ThKaiA180C); Averaged Minimized Structure
Descriptor: Circadian clock protein KaiA homolog
Authors:Vakonakis, I, Sun, J, Holzenburg, A, Golden, S.S, LiWang, A.C.
Deposit date:2003-08-13
Release date:2003-08-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure of the KaiC-interacting C-terminal domain of KaiA, a circadian clock protein: Implications for KaiA-KaiC interaction
Proc.Natl.Acad.Sci.USA, 101, 2004
6ZMD
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BU of 6zmd by Molmil
Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP
Descriptor: Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
Deposit date:2020-07-02
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.
Nat Commun, 12, 2021
1OY2
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Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc
Descriptor: SHC transforming protein
Authors:Farooq, A, Zeng, L, Yan, K.S, Ravichandran, K.S, Zhou, M.-M.
Deposit date:2003-04-03
Release date:2004-04-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc
Structure, 11, 2003
4OOJ
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BU of 4ooj by Molmil
Crystal structure of the N-terminal domain of the Legionella pneumophila protein SidC at 2.4A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SidC, ...
Authors:Gazdag, E.M, Shoebel, S, Shkumatov, A.V, Goody, R.S, Itzen, A.
Deposit date:2014-02-03
Release date:2014-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of the N-terminal domain of the Legionella protein SidC
J.Struct.Biol., 186, 2014
7A0S
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BU of 7a0s by Molmil
50S Deinococcus radiodurans ribosome bounded with mycinamicin I
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
7A0R
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50S Deinococcus radiodurans ribosome bounded with mycinamicin I
Descriptor: 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ...
Authors:Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
7A18
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50S Deinococcus radiodurans ribosome bounded with mycinamicin IV
Descriptor: 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ...
Authors:Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2020-08-12
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
8URW
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BU of 8urw by Molmil
Cyanobacterial RNA polymerase elongation complex with NusG and CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (40-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S.
Deposit date:2023-10-26
Release date:2023-12-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
4IZ0
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BU of 4iz0 by Molmil
Crystal structure of HCV NS5B polymerase in complex with 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Descriptor: 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, RNA-directed RNA polymerase
Authors:Coulombe, R.
Deposit date:2013-01-29
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1RVK
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BU of 1rvk by Molmil
Crystal structure of enolase AGR_L_2751 from Agrobacterium Tumefaciens
Descriptor: MAGNESIUM ION, isomerase/lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Thirumuruhan, R, Zencheck, W, Millikin, C, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-12-14
Release date:2003-12-23
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of enzymatic activites in the Enolase superfamily: 1.7 A crystal structure of the hypothetical protein MR.GI-17937161 from Agrobacterium tumefaciens
To be Published
7B0H
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BU of 7b0h by Molmil
TgoT_6G12 Ternary complex
Descriptor: DNA (5'-D(P*AP*AP*CP*GP*GP*CP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*AP*TP*T)-3'), DNA polymerase, ...
Authors:Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B08
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TgoT apo
Descriptor: DNA polymerase, THYMIDINE-5'-TRIPHOSPHATE, TRIETHYLENE GLYCOL
Authors:Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
Deposit date:2020-11-18
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B07
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TgoT_6G12 apo
Descriptor: CALCIUM ION, DNA polymerase
Authors:Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
Deposit date:2020-11-18
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.099 Å)
Cite:Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B0G
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BU of 7b0g by Molmil
TgoT_6G12 binary with 2 hCTPs
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(P*AP*TP*TP*GP*GP*CP*TP*GP*CP*CP*CP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*GP*CP*AP*GP*()P*())-3'), ...
Authors:Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
Deposit date:2020-11-19
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
1QXB
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BU of 1qxb by Molmil
NMR structure determination of the self complementary DNA Dodecamer CGCGAATT*CGCG in which a ribose is inserted between the 3'-OH of T8 and the 5'-phosphate group of C9
Descriptor: 5'-d(CpGpCpGpApApTpTpCpGpCpG)-3', beta-D-ribofuranose
Authors:Nauwelaerts, K, Vastmans, K, Froeyen, M, Kempeneers, V, Rozenski, J, Rosemeyer, H, Van Aerschot, A, Busson, R, Efimtseva, E, Mikhailov, S, Lescrinier, E, Herdewijn, P.
Deposit date:2003-09-05
Release date:2004-02-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Cleavage of DNA without loss of genetic information by incorporation of a disaccharide nucleoside.
Nucleic Acids Res., 31, 2003
3FW3
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BU of 3fw3 by Molmil
Crystal Structure of soluble domain of CA4 in complex with Dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 4, SULFATE ION, ...
Authors:Greasley, S.E, Ferre, R.A.A, Paz, R, Wickersham, J.
Deposit date:2009-01-16
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
3FWO
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BU of 3fwo by Molmil
The large ribosomal subunit from Deinococcus radiodurans complexed with Methymycin
Descriptor: (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 23S RIBOSOMAL RNA, 5S RIBOSOMAL RNA
Authors:Auerbach, T, Mermershtain, I, Bashan, A, Davidovich, C, Rozenberg, H, Sherman, D.H, Yonath, A.
Deposit date:2009-01-19
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Structural basis for the antibacterial activity of the 12-membered-ring mono-sugar macrolide methymycin
Biotechnologia, 1, 2009
1QY9
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BU of 1qy9 by Molmil
Crystal structure of E. coli Se-MET protein YDDE
Descriptor: GLYCEROL, HYDROXIDE ION, HYPOTHETICAL PROTEIN yddE
Authors:Grassick, A, Sulzenbacher, G, Roig-Zamboni, V, Campanacci, V, Cambillau, C, Bourne, Y.
Deposit date:2003-09-10
Release date:2004-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of E. coli yddE protein reveals a striking homology with diaminopimelate epimerase
Proteins, 55, 2004
7B0F
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BU of 7b0f by Molmil
TgoT_6G12 Binary complex
Descriptor: DNA (5'-D(P*AP*AP*CP*GP*GP*CP*TP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*AP*TP*T)-3'), DNA polymerase, ...
Authors:Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
Deposit date:2020-11-19
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B06
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TgoT_RT521 apo
Descriptor: DNA polymerase
Authors:Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
Deposit date:2020-11-18
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
3HLX
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Crystal Structure of PqqC Active Site Mutant Y175F in Complex with PQQ
Descriptor: CHLORIDE ION, GLYCEROL, PYRROLOQUINOLINE QUINONE, ...
Authors:Puehringer, S, Schwarzenbacher, R.
Deposit date:2009-05-28
Release date:2010-05-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural studies of mutant forms of the PQQ-forming enzyme PqqC in the presence of product and substrate
Proteins, 78, 2010
4OUU
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BU of 4ouu by Molmil
anti-MT1-MMP monoclonal antibody
Descriptor: anti_MT1-MMP Heavy chain, anti_MT1-MMP light chain
Authors:Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Koziol, A, Cuniasse, P, Dive, V, Arroyo, A.G, Irit, S, Israel Structural Proteomics Center (ISPC)
Deposit date:2014-02-19
Release date:2014-12-17
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
3HZ3
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Lactobacillus reuteri N-terminally truncated glucansucrase GTF180(D1025N)-sucrose complex
Descriptor: CALCIUM ION, Glucansucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2009-06-23
Release date:2010-06-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
4O97
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Crystal structure of matriptase in complex with inhibitor
Descriptor: N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein
Authors:Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S.
Deposit date:2014-01-02
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014

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