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2FG7
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BU of 2fg7 by Molmil
N-succinyl-L-ornithine transcarbamylase from B. fragilis complexed with carbamoyl phosphate and N-succinyl-L-norvaline
Descriptor: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, SULFATE ION, ...
Authors:Shi, D, Yu, X, Malamy, M.H, Allewell, N.M, Tuchman, M.
Deposit date:2005-12-21
Release date:2006-05-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and catalytic mechanism of a novel N-succinyl-L-ornithine transcarbamylase in arginine biosynthesis of Bacteroides fragilis.
J.Biol.Chem., 281, 2006
2EZ8
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BU of 2ez8 by Molmil
Pyruvate oxidase variant F479W in complex with reaction intermediate 2-lactyl-thiamin diphosphate
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
Deposit date:2005-11-10
Release date:2006-04-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
2F1R
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BU of 2f1r by Molmil
Crystal Structure of molybdopterin-guanine biosynthesis protein B (mobB)
Descriptor: CHLORIDE ION, PRASEODYMIUM ION, molybdopterin-guanine dinucleotide biosynthesis protein B (mobB)
Authors:Damodharan, L, Eswaramoorthy, S, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-11-15
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of molybdopterin-guanine dinucleotide biosynthesis protein B (mobB)
To be Published
2EVU
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BU of 2evu by Molmil
Crystal structure of aquaporin AqpM at 2.3A resolution
Descriptor: Aquaporin aqpM, GLYCEROL, octyl beta-D-glucopyranoside
Authors:Lee, J.K, Kozono, D, Remis, J, Kitagawa, Y, Agre, P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2005-10-31
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for conductance by the archaeal aquaporin AqpM at 1.68 A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3CXZ
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BU of 3cxz by Molmil
Crystal structure of cytochrome P450 CYP121 R386L mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Characterization of active site structure of cytochrome P450 CYP121
TO BE PUBLISHED
2EZ7
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BU of 2ez7 by Molmil
Carbonic anhydrase activators. Activation of isozymes I, II, IV, VA, VII and XIV with L- and D-histidine and crystallographic analysis of their adducts with isoform II: engineering proton transfer processes within the active site of an enzyme
Descriptor: Carbonic anhydrase 2, D-HISTIDINE, MERCURY (II) ION, ...
Authors:Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T.
Deposit date:2005-11-10
Release date:2006-07-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Carbonic Anhydrase Activators. Activation of Isozymes I, II, IV, VA, VII, and XIV with L- and D-Histidine and Crystallographic Analysis of Their Adducts with Isoform II: Engineering Proton-Transfer Processes within the Active Site of an Enzyme.
Chemistry, 12, 2006
2FIO
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BU of 2fio by Molmil
Phage phi29 transcription regulator p4-DNA complex
Descriptor: DNA (41-MER), Late genes activator
Authors:Badia, D, Camacho, A, Perez-Lago, L, Escandon, C, Salas, M, Coll, M.
Deposit date:2005-12-30
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of phage phi29 transcription regulator p4-DNA complex reveals an N-hook motif for DNA
Mol.Cell, 22, 2006
4CDL
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BU of 4cdl by Molmil
Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor 1-(6-methoxy-2-naphthalenyl)-1,3-butanedione
Descriptor: (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one, STEROID DELTA-ISOMERASE
Authors:Pinkas, D.M, Studer, S, Obexer, R, Giger, L, Gruetter, M.G, Baker, D, Hilvert, D.
Deposit date:2013-11-01
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Active Site Plasticity of a Computationally Designed Retro-Aldolase Enzyme
To be Published
4IXQ
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BU of 4ixq by Molmil
RT fs X-ray diffraction of Photosystem II, dark state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J.
Deposit date:2013-01-27
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.7 Å)
Cite:Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
1QAJ
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BU of 1qaj by Molmil
CRYSTAL STRUCTURES OF THE N-TERMINAL FRAGMENT FROM MOLONEY MURINE LEUKEMIA VIRUS REVERSE TRANSCRIPTASE COMPLEXED WITH NUCLEIC ACID: FUNCTIONAL IMPLICATIONS FOR TEMPLATE-PRIMER BINDING TO THE FINGERS DOMAIN
Descriptor: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), REVERSE TRANSCRIPTASE
Authors:Najmudin, S, Cote, M, Sun, D, Yohannan, S, Montano, S.P, Gu, J, Georgiadis, M.M.
Deposit date:1999-03-18
Release date:2000-04-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of an N-terminal fragment from Moloney murine leukemia virus reverse transcriptase complexed with nucleic acid: functional implications for template-primer binding to the fingers domain.
J.Mol.Biol., 296, 2000
3CF9
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BU of 3cf9 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ...
Authors:Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H.
Deposit date:2008-03-03
Release date:2008-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
3CFP
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BU of 3cfp by Molmil
Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 1
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DAP*DCP*DAP*DGP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DCP*DG)-3'), ...
Authors:Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
3CH1
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BU of 3ch1 by Molmil
Crystal structure of H-2Db in complex with chimeric gp100
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Badia-Martinez, D, Achour, A.
Deposit date:2008-03-06
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of agonistic altered peptides for the robust induction of CTL directed towards H-2Db in complex with the melanoma-associated epitope gp100.
Cancer Res., 69, 2009
3CIF
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BU of 3cif by Molmil
Crystal Structure of C153S mutant glyceraldehyde 3-phosphate dehydrogenase from Cryptosporidium parvum
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Cook, W.J, Senkovich, O, Chattopadhyay, D.
Deposit date:2008-03-11
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:An unexpected phosphate binding site in Glyceraldehyde 3-Phosphate Dehydrogenase: Crystal structures of apo, holo and ternary complex of Cryptosporidium parvum enzyme
BMC STRUCT.BIOL., 9, 2009
2EZ4
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BU of 2ez4 by Molmil
Pyruvate oxidase variant F479W
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
Deposit date:2005-11-10
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
4CFF
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BU of 4cff by Molmil
Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone derivative (A-769662)
Descriptor: 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, ...
Authors:Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J.
Deposit date:2013-11-14
Release date:2013-12-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.924 Å)
Cite:Structural Basis of Ampk Regulation by Small Molecule Activators.
Nat.Commun., 4, 2013
2FD7
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BU of 2fd7 by Molmil
X-ray Crystal Structure of Chemically Synthesized Crambin
Descriptor: Crambin
Authors:Bang, D, Tereshko, V, Kossiakoff, A.A, Kent, S.B.
Deposit date:2005-12-13
Release date:2007-01-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Role of a salt bridge in the model protein crambin explored by chemical protein synthesis: X-ray structure of a unique protein analogue, [V15A]crambin-alpha-carboxamide.
Mol Biosyst, 5, 2009
2GYI
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BU of 2gyi by Molmil
DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX
Descriptor: 2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID, MAGNESIUM ION, XYLOSE ISOMERASE
Authors:Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D.
Deposit date:1994-09-01
Release date:1995-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, Synthesis, and Characterization of a Potent Xylose Isomerase Inhibitor, D-Threonohydroxamic Acid, and High-Resolution X-Ray Crystallographic Structure of the Enzyme-Inhibitor Complex
Biochemistry, 34, 1995
3CWC
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BU of 3cwc by Molmil
Crystal structure of putative glycerate kinase 2 from Salmonella typhimurium LT2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative glycerate kinase 2
Authors:Osipiuk, J, Zhou, M, Holzle, D, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-04-21
Release date:2008-07-08
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:X-ray crystal structure of putative glycerate kinase 2 from Salmonella typhimurium LT2.
To be Published
3CWQ
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BU of 3cwq by Molmil
Crystal structure of chromosome partitioning protein (ParA) in complex with ADP from Synechocystis sp. Northeast Structural Genomics Consortium Target SgR89
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ParA family chromosome partitioning protein
Authors:Forouhar, F, Neely, H, Seetharaman, J, Mao, L, Xiao, R, Janjua, H, Maglaqui, M, Foote, E.L, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-04-22
Release date:2008-05-13
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of chromosome partitioning protein (ParA) in complex with ADP from Synechocystis sp.
To be Published
3CTD
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BU of 3ctd by Molmil
Crystal structure of a putative AAA family ATPase from Prochlorococcus marinus subsp. pastoris
Descriptor: Putative ATPase, AAA family
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-04-11
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a putative AAA family ATPase from Prochlorococcus marinus subsp. pastoris.
To be Published
2ERX
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BU of 2erx by Molmil
Crystal Structure of DiRas2 in Complex With GDP and Inorganic Phosphate
Descriptor: GTP-binding protein Di-Ras2, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Papagrigoriou, E, Yang, X, Elkins, J, Niesen, F.E, Burgess, N, Salah, E, Fedorov, O, Ball, L.J, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.
Deposit date:2005-10-25
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of DiRas2
To be Published
2F2B
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BU of 2f2b by Molmil
Crystal structure of integral membrane protein Aquaporin AqpM at 1.68A resolution
Descriptor: Aquaporin aqpM, GLYCEROL
Authors:Lee, J.K, Kozono, D, Remis, J, Kitagawa, Y, Agre, P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2005-11-15
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for conductance by the archaeal aquaporin AqpM at 1.68 A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2FH4
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BU of 2fh4 by Molmil
C-terminal half of gelsolin soaked in EGTA at pH 8
Descriptor: Gelsolin
Authors:Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C.
Deposit date:2005-12-23
Release date:2006-06-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Calcium ion exchange in crystalline gelsolin
J.Mol.Biol., 357, 2006
2FIK
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BU of 2fik by Molmil
Structure of a microbial glycosphingolipid bound to mouse CD1d
Descriptor: (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, D, Zajonc, D.M.
Deposit date:2005-12-29
Release date:2006-03-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of natural killer T cell activators: structure and function of a microbial glycosphingolipid bound to mouse CD1d.
Proc.Natl.Acad.Sci.Usa, 103, 2006

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