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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
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
3GKF
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BU of 3gkf by Molmil
Crystal Structure of E. coli LsrF
Descriptor: Aldolase lsrF
Authors:Miller, S.T, Diaz, Z.C.
Deposit date:2009-03-10
Release date:2009-09-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of the Escherichia coli autoinducer-2 processing protein LsrF.
Plos One, 4, 2009
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
3GLC
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BU of 3glc by Molmil
Crystal Structure of E. coli LsrF in complex with Ribose-5-phosphate
Descriptor: Aldolase lsrF, RIBOSE-5-PHOSPHATE
Authors:Miller, S.T, Diaz, Z.C.
Deposit date:2009-03-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the Escherichia coli autoinducer-2 processing protein LsrF.
Plos One, 4, 2009
3GR4
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BU of 3gr4 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
3GS8
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BU of 3gs8 by Molmil
An all-RNA hairpin ribozyme A38N1dA38 variant with a transition-state mimic substrate strand
Descriptor: 2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATE, COBALT HEXAMMINE(III), RNA (5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3'), ...
Authors:Spitale, R.C, Volpini, R, Heller, M.G, Krucinska, J, Cristalli, G, Wedekind, J.E.
Deposit date:2009-03-26
Release date:2009-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of an imino group indispensable for cleavage by a small ribozyme.
J.Am.Chem.Soc., 131, 2009
2W9L
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BU of 2w9l by Molmil
CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID
Descriptor: COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution.
PLoS Pathog., 5, 2009
2VQG
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BU of 2vqg by Molmil
Crystal structure of PorB from Corynebacterium glutamicum (crystal form I)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol, ACETATE ION, ...
Authors:Ziegler, K, Benz, R, Schulz, G.E.
Deposit date:2008-03-15
Release date:2008-05-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A Putative Alpha-Helical Porin from Corynebacterium Glutamicum.
J.Mol.Biol., 379, 2008
1FNW
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BU of 1fnw by Molmil
CRYSTAL STRUCTURE OF STREPTOCOCCAL PYROGENIC EXOTOXIN A
Descriptor: CADMIUM ION, EXOTOXIN TYPE A PRECURSOR (ALLELE 1)
Authors:Earhart, C.A, Vath, G.M, Roggiani, M, Schlivert, P.M, Ohlendorf, D.H.
Deposit date:2000-08-23
Release date:2000-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structure of streptococcal pyrogenic exotoxin A reveals a novel metal cluster.
Protein Sci., 9, 2000
3H1H
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BU of 3h1h by Molmil
Cytochrome bc1 complex from chicken
Descriptor: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, CYTOCHROME C1, ...
Authors:Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.I, Kim, K.K, Hung, L.W, Crofts, A.R, Berry, E.A, Kim, S.H.
Deposit date:2009-04-12
Release date:2009-04-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
3H3F
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BU of 3h3f by Molmil
Rabbit muscle L-lactate dehydrogenase in complex with NADH and oxamate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, L-lactate dehydrogenase A chain, ...
Authors:Bujacz, A, Bujacz, G, Swiderek, K, Paneth, P.
Deposit date:2009-04-16
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Modeling of isotope effects on binding oxamate to lactic dehydrogenase
J.Phys.Chem.B, 113, 2009
1FJ2
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BU of 1fj2 by Molmil
Crystal structure of the human acyl protein thioesterase 1 at 1.5 A resolution
Descriptor: BROMIDE ION, PROTEIN (ACYL PROTEIN THIOESTERASE 1)
Authors:Devedjiev, Y, Dauter, Z, Kuznetsov, S, Jones, T, Derewenda, Z.
Deposit date:2000-08-07
Release date:2000-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the human acyl protein thioesterase I from a single X-ray data set to 1.5 A.
Structure Fold.Des., 8, 2000
3GLG
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BU of 3glg by Molmil
Crystal Structure of a Mutant (gammaT157A) E. coli Clamp Loader Bound to Primer-Template DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (5'-D(*CP*TP*GP*GP*CP*CP*TP*AP*TP*A)-3'), ...
Authors:Simonetta, K.R, Seyedin, S.N, Kuriyan, J.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The mechanism of ATP-dependent primer-template recognition by a clamp loader complex.
Cell(Cambridge,Mass.), 137, 2009
2Q3E
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BU of 2q3e by Molmil
Structure of human UDP-glucose dehydrogenase complexed with NADH and UDP-glucose
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, UDP-glucose 6-dehydrogenase, ...
Authors:Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Smee, C, Berridge, G, von Delft, F, Wiegelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
3GZO
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BU of 3gzo by Molmil
HUMAN SOD1 G93A Variant
Descriptor: COPPER (II) ION, GLYCEROL, MALONATE ION, ...
Authors:Galaleldeen, A, Taylor, A.B, Narayana, N, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
3GVD
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BU of 3gvd by Molmil
Crystal Structure of Serine Acetyltransferase CysE from Yersinia pestis
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETIC ACID, CYSTEINE, ...
Authors:Kim, Y, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-30
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Serine Acetyltransferase CysE from Yersinia pestis
To be Published
3H06
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BU of 3h06 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR2 bound to the willardiine antagonist, UBP282
Descriptor: 4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid, Glutamate receptor 2
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2009-04-08
Release date:2009-05-05
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanisms of antagonism of the GluR2 AMPA receptor: structure and dynamics of the complex of two willardiine antagonists with the glutamate binding domain.
Biochemistry, 48, 2009
2QC8
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BU of 2qc8 by Molmil
Crystal structure of human glutamine synthetase in complex with ADP and methionine sulfoximine phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamine synthetase, ...
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-06-19
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design.
J.Mol.Biol., 375, 2008
3IA2
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BU of 3ia2 by Molmil
Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog
Descriptor: (2R)-butane-2-sulfonate, Arylesterase, GLYCEROL, ...
Authors:Schrag, J.D, Kazlauskas, R.J, Jiang, Y, Morley, K.
Deposit date:2009-07-13
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Different active-site loop orientation in serine hydrolases versus acyltransferases.
Chembiochem, 12, 2011
3IAS
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BU of 3ias by Molmil
Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution
Descriptor: CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
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 (3.15 Å)
Cite:Structural basis for the mechanism of respiratory complex I
J.Biol.Chem., 284, 2009
2W6D
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BU of 2w6d by Molmil
BACTERIAL DYNAMIN-LIKE PROTEIN LIPID TUBE BOUND
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, DYNAMIN FAMILY PROTEIN, GUANOSINE-5'-DIPHOSPHATE
Authors:Low, H.H, Sachse, C, Amos, L.A, Lowe, J.
Deposit date:2008-12-18
Release date:2009-12-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Structure of a Bacterial Dynamin-Like Protein Lipid Tube Provides a Mechanism for Assembly and Membrane Curving.
Cell(Cambridge,Mass.), 139, 2009
3IFD
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BU of 3ifd by Molmil
Human synthetic monocyte chemoattractant protein 1 (MCP-1)
Descriptor: C-C motif chemokine 2, PHOSPHATE ION, POTASSIUM ION
Authors:Teplyakov, A, Obmolova, G, Gilliland, G.L.
Deposit date:2009-07-24
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis by native chemical ligation and crystal structure of human CCL2.
Biopolymers, 94, 2010
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
2R45
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BU of 2r45 by Molmil
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phospho-d-glyceric acid
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, Aerobic glycerol-3-phosphate dehydrogenase, ...
Authors:Yeh, J.I, Du, S, Chinte, U.
Deposit date:2007-08-30
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism
Proc.Natl.Acad.Sci.USA, 105, 2008

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