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3DFY
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BU of 3dfy by Molmil
Crystal structure of apo dipeptide epimerase from Thermotoga maritima
Descriptor: MAGNESIUM ION, Muconate cycloisomerase
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
Deposit date:2008-06-12
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
3E3I
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BU of 3e3i by Molmil
H. influenzae beta-carbonic anhydrase, variant G41A with 100 mM bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Rowlett, R.S, Failing, H.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
3E8B
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BU of 3e8b by Molmil
Crystal Structure of the the open NaK channel- Rb+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3IE1
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BU of 3ie1 by Molmil
Crystal structure of H380A mutant TTHA0252 from Thermus thermophilus HB8 complexed with RNA
Descriptor: CITRATE ANION, RNA (5'-R(P*UP*UP*UP*U)-3'), Ribonuclease TTHA0252, ...
Authors:Ishikawa, H, Nakagawa, N, Kuramitsu, S, Yokoyama, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-07-22
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of H380A mutant TTHA0252 from Thermus thermophilus HB8 complexed with RNA
To be Published
3WII
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BU of 3wii by Molmil
Crystal structure of the Fab fragment of B2212A, a murine monoclonal antibody specific for the third fibronectin domain (Fn3) of human ROBO1.
Descriptor: anti-human ROBO1 antibody B2212A Fab heavy chain, anti-human ROBO1 antibody B2212A Fab light chain
Authors:Nakayama, T, Mizohata, E, Yamashita, T, Nagatoishi, S, Nakakido, M, Iwanari, H, Mochizuki, Y, Kado, Y, Yokota, Y, Sato, R, Tsumoto, K, Fujitani, H, Kodama, T, Hamakubo, T, Inoue, T.
Deposit date:2013-09-12
Release date:2015-01-21
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses
Protein Sci., 24, 2015
3RBC
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BU of 3rbc by Molmil
Bullfrog M ferritin with iron(III) bound to the ferroxidase site
Descriptor: FE (III) ION, Ferritin, middle subunit
Authors:Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
Deposit date:2011-03-29
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
3W88
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BU of 3w88 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200
Descriptor: 1,2-ETHANEDIOL, 5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ...
Authors:Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200
To be Published
2Q7D
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BU of 2q7d by Molmil
Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in complex with AMPPNP and Mn2+
Descriptor: Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Chamberlain, P.P, Lesley, S.A, Spraggon, G.
Deposit date:2007-06-06
Release date:2007-07-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
3WNC
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BU of 3wnc by Molmil
Crystal structure of EF-Pyl in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein translation elongation factor 1A
Authors:Yanagisawa, T, Ishii, R, Fukunaga, R, Sengoku, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2013-12-08
Release date:2014-12-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A SelB/EF-Tu/aIF2 gamma-like protein from Methanosarcina mazei in the GTP-bound form binds cysteinyl-tRNA(Cys.).
J. Struct. Funct. Genomics, 16, 2015
3IL2
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BU of 3il2 by Molmil
Crystal structure of a Rex-family repressor R90D mutant/DNA complex from Thermus aquaticus
Descriptor: Redox-sensing transcriptional repressor rex, Rex operator DNA
Authors:McLaughlin, K.J, Kielkopf, C.L.
Deposit date:2009-08-06
Release date:2010-06-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis for NADH/NAD+ redox sensing by a Rex family repressor.
Mol.Cell, 38, 2010
3EKE
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BU of 3eke by Molmil
Crystal structure of IBV X-domain at pH 5.6
Descriptor: L(+)-TARTARIC ACID, Non-structural protein 3
Authors:Piotrowski, Y, Hansen, G, Hilgenfeld, R.
Deposit date:2008-09-19
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
3RHM
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BU of 3rhm by Molmil
Crystal structure of the E673Q mutant oF C-Terminal domain of 10'FORMYLTETRAHYDROFOLATE DEHYDROGENASE
Descriptor: Aldehyde dehydrogenase 1 family, member L1, GLYCEROL, ...
Authors:Tsybovsky, Y.
Deposit date:2011-04-11
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Conserved catalytic residues of the ALDH1L1 aldehyde dehydrogenase domain control binding and discharging of the coenzyme.
J.Biol.Chem., 286, 2011
3IAM
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BU of 3iam by Molmil
Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, reduced, 2 mol/ASU, with bound NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Sazanov, L.A, Berrisford, J.M.
Deposit date:2009-07-14
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the mechanism of respiratory complex I
J.Biol.Chem., 284, 2009
3RKO
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BU of 3rko by Molmil
Crystal structure of the membrane domain of respiratory complex I from E. coli at 3.0 angstrom resolution
Descriptor: 7-cyclohexylheptyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, EICOSANE, NADH-QUINONE OXIDOREDUCTASE SUBUNIT A, ...
Authors:Efremov, R.G, Sazanov, L.A.
Deposit date:2011-04-18
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the membrane domain of respiratory complex I.
Nature, 476, 2011
3RRJ
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BU of 3rrj by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P5-Di(adenosine-5') pentaphosphate
Descriptor: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-04-29
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
2PYJ
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BU of 2pyj by Molmil
Phi29 DNA polymerase complexed with primer-template DNA and incoming nucleotide substrates (ternary complex)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-d(ACACGTAAGCAGTC)-3', ...
Authors:Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2007-05-16
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
3IF9
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BU of 3if9 by Molmil
Crystal structure of Glycine Oxidase G51S/A54R/H244A mutant in complex with inhibitor glycolate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCOLIC ACID, Glycine oxidase
Authors:Pedotti, M, Rosini, E, Molla, G, Moschetti, T, Vallone, B, Savino, C, Pollegioni, L.
Deposit date:2009-07-24
Release date:2009-10-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glyphosate resistance by engineering the flavoenzyme glycine oxidase.
J.Biol.Chem., 284, 2009
3WRT
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BU of 3wrt by Molmil
Wild type beta-lactamase DERIVED FROM CHROMOHALOBACTER SP.560
Descriptor: Beta-lactamase
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
2VR4
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BU of 2vr4 by Molmil
Transition-state mimicry in mannoside hydrolysis: characterisation of twenty six inhibitors and insight into binding from linear free energy relationships and 3-D structure
Descriptor: (2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ...
Authors:Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J.
Deposit date:2008-03-25
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
3R1L
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BU of 3r1l by Molmil
Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Mg2+ bound
Descriptor: 5'-R(*UP*CP*CP*AP*GP*UP*A)-3', Class I ligase ribozyme, MAGNESIUM ION, ...
Authors:Shechner, D.M, Bartel, D.P.
Deposit date:2011-03-10
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.125 Å)
Cite:The structural basis of RNA-catalyzed RNA polymerization.
Nat.Struct.Mol.Biol., 18, 2011
3IJR
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BU of 3ijr by Molmil
2.05 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD+
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, ...
Authors:Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Gordon, E, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-04
Release date:2009-09-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD+
To be Published
3IS7
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BU of 3is7 by Molmil
Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A Resolution
Descriptor: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
Deposit date:2009-08-25
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
2VR0
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BU of 2vr0 by Molmil
Crystal structure of cytochrome c nitrite reductase NrfHA complex bound to the HQNO inhibitor
Descriptor: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ...
Authors:Rodrigues, M.L, Archer, M.
Deposit date:2008-03-24
Release date:2008-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quinol Oxidation by C-Type Cytochromes: Structural Characterization of the Menaquinol Binding Site of Nrfha.
J.Mol.Biol., 381, 2008
2VXA
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BU of 2vxa by Molmil
H. halophila dodecin in complex with riboflavin
Descriptor: CHLORIDE ION, DODECIN, RIBOFLAVIN
Authors:Grininger, M, Staudt, H, Johansson, P, Wachtveitl, J, Oesterhelt, D.
Deposit date:2008-07-01
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dodecin is the Key Player in Flavin Homeostasis of Archaea.
J.Biol.Chem., 284, 2009
3R90
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BU of 3r90 by Molmil
Crystal structure of Malignant T cell-amplified sequence 1 protein
Descriptor: GLYCEROL, Malignant T cell-amplified sequence 1, SULFATE ION, ...
Authors:Hong, B, Dimov, S, Tempel, W, Tong, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-03-24
Release date:2011-04-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Malignant T cell-amplified sequence 1 protein
to be published

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