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4PD7
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BU of 4pd7 by Molmil
Structure of vcCNT bound to zebularine
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PJ9
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BU of 4pj9 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRAJ20 TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PFI
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BU of 4pfi by Molmil
Crystal structure of a tRAP periplasmic solute binding protein from marinobacter aquaeolei VT8 (Maqu_2829, TARGET EFI-510133), apo open structure
Descriptor: SODIUM ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-04-29
Release date:2014-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3024 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
2V6K
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BU of 2v6k by Molmil
Structure of Maleyl Pyruvate Isomerase, a bacterial glutathione-s- transferase in Zeta class, in complex with substrate analogue dicarboxyethyl glutathione
Descriptor: ACETATE ION, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, MALEYLPYRUVATE ISOMERASE, ...
Authors:Shoemark, D.K, Zhou, N.-Y, Williams, P.A, Hadfield, A.T.
Deposit date:2007-07-19
Release date:2008-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of Bacterial Glutathione-S-Transferase Maleyl Pyruvate Isomerase and Implications for Mechanism of Isomerisation.
J.Mol.Biol., 384, 2008
4P4M
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BU of 4p4m by Molmil
Crystal structure of Leishmania infantum polymerase beta: Ternary P/T complex
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*A)-3'), DNA (5'-D(P*AP*TP*AP*CP*TP*G)-3'), ...
Authors:Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T.A, Bebenek, K, Garcia-Diaz, M.
Deposit date:2014-03-12
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9185 Å)
Cite:Structures of the Leishmania infantum polymerase beta.
DNA Repair (Amst.), 18, 2014
1AD8
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BU of 1ad8 by Molmil
COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY
Descriptor: HIRUDIN (53-65) PEPTIDE, SODIUM ION, THROMBIN (LARGE SUBUNIT), ...
Authors:Schreuder, H, Tardif, C, Malikayil, J.A.
Deposit date:1997-02-24
Release date:1997-11-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
Biochemistry, 36, 1997
3FVS
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BU of 3fvs by Molmil
Human Kynurenine Aminotransferase I in complex with Glycerol
Descriptor: GLYCEROL, Kynurenine--oxoglutarate transaminase 1, SODIUM ION
Authors:Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
Deposit date:2009-01-16
Release date:2009-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K
J.Med.Chem., 52, 2009
4RT1
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BU of 4rt1 by Molmil
Structure of the Alg44 PilZ domain (R95A mutant) from Pseudomonas aeruginosa PAO1 in complex with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44, CHLORIDE ION, ...
Authors:Whitfield, G.B, Whitney, J.C.
Deposit date:2014-11-12
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa.
J.Biol.Chem., 290, 2015
1C9D
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BU of 1c9d by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Descriptor: 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Lolis, E, Sachpatzidis, A.
Deposit date:1999-08-02
Release date:1999-12-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
2X9N
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BU of 2x9n by Molmil
High resolution structure of TbPTR1 in complex with cyromazine
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, DITHIANE DIOL, ...
Authors:Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N.
Deposit date:2010-03-23
Release date:2010-06-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
4TL5
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BU of 4tl5 by Molmil
Crystal Structure of Human Transthyretin Ser85Pro Mutant
Descriptor: CHLORIDE ION, SODIUM ION, Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-28
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
3F9L
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BU of 3f9l by Molmil
Evaulaution at Atomic Resolution of the Role of Strain in Destabilizing the Temperature Sensitive T4 Lysozyme Mutant Arg96-->His
Descriptor: CHLORIDE ION, Lysozyme, PHOSPHATE ION, ...
Authors:Mooers, B.H.M, Matthews, B.W.
Deposit date:2008-11-14
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Evaluation at atomic resolution of the role of strain in destabilizing the temperature-sensitive T4 lysozyme mutant Arg 96 --> His.
Protein Sci., 18, 2009
4Q9Z
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BU of 4q9z by Molmil
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-02
Release date:2014-07-02
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
2UW1
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BU of 2uw1 by Molmil
Ivy Desaturase Structure
Descriptor: (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID, FE (III) ION, PLASTID DELTA4 MULTIFUNCTIONAL ACYL-ACYL CARRIER PROTEIN DESATURASE, ...
Authors:Guy, J.E, Whittle, E, Kumaran, D, Lindqvist, Y, Shanklin, J.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity.
J.Biol.Chem., 282, 2007
3F7L
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BU of 3f7l by Molmil
X-ray Crystal Structure of Alvinella pompejana Cu,Zn Superoxide Dismutase
Descriptor: ACETIC ACID, COPPER (I) ION, COPPER (II) ION, ...
Authors:Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A.
Deposit date:2008-11-09
Release date:2009-02-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis.
J.Mol.Biol., 385, 2009
2V21
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BU of 2v21 by Molmil
Crystal structure of the T. thermophilus dodecin in complex with prebound FMN
Descriptor: FLAVIN MONONUCLEOTIDE, HYPOTHETICAL PROTEIN TTHA1431, SODIUM ION
Authors:Meissner, B, Essen, L.-O.
Deposit date:2007-05-31
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Dodecin from Thermus Thermophilus, a Bifunctional Cofactor Storage Protein.
J.Biol.Chem., 282, 2007
1A3D
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BU of 1a3d by Molmil
PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM
Descriptor: PHOSPHOLIPASE A2, SODIUM ION
Authors:Segelke, B.W, Nguyen, D, Chee, R, Xuong, H.N, Dennis, E.A.
Deposit date:1998-01-20
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing.
J.Mol.Biol., 279, 1998
4RSO
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BU of 4rso by Molmil
The structure of the neurotropic AAVrh.8 viral vector
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, Capsid protein VP1, ...
Authors:Halder, S, Van Vliet, K, Smith, J.K, McKenna, R, Wilson, J.M, Agbandje-McKenna, M.
Deposit date:2014-11-10
Release date:2016-04-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of neurotropic adeno-associated virus AAVrh.8.
J.Struct.Biol., 192, 2015
2X1Z
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BU of 2x1z by Molmil
Structure of Peridinin-Chlorophyll-Protein reconstituted with Chl-d
Descriptor: CADMIUM ION, CHLORIDE ION, CHLOROPHYLL D, ...
Authors:Schulte, T, Hiller, R.G, Hofmann, E.
Deposit date:2010-01-09
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-Ray Structures of the Peridinin-Chlorophyll-Protein Reconstituted with Different Chlorophylls.
FEBS Lett., 584, 2010
2WHJ
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BU of 2whj by Molmil
Understanding how diverse mannanases recognise heterogeneous substrates
Descriptor: ACETATE ION, BETA-MANNANASE, GLYCEROL, ...
Authors:Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
4OP9
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BU of 4op9 by Molmil
Urate OXIDASE IN COMPLEX WITH 8-AZAXANTHINE
Descriptor: 8-AZAXANTHINE, SODIUM ION, Uricase
Authors:Colloc'h, N, Prange, T.
Deposit date:2014-02-05
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Functional relevance of the internal hydrophobic cavity of urate oxidase.
Febs Lett., 588, 2014
1BLI
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BU of 1bli by Molmil
BACILLUS LICHENIFORMIS ALPHA-AMYLASE
Descriptor: ALPHA-AMYLASE, CALCIUM ION, SODIUM ION
Authors:Machius, M, Declerck, N, Huber, R, Wiegand, G.
Deposit date:1998-01-07
Release date:1999-03-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activation of Bacillus licheniformis alpha-amylase through a disorder-->order transition of the substrate-binding site mediated by a calcium-sodium-calcium metal triad.
Structure, 6, 1998
4P76
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BU of 4p76 by Molmil
Cellular response to a crystal-forming protein
Descriptor: Photoconvertible fluorescent protein, SODIUM ION
Authors:Tsutsui, H, Jinno, Y, Shoda, K, Tomita, A, Matsuda, M, Yamashita, E, Katayama, H, Nakagawa, A, Miyawaki, A.
Deposit date:2014-03-26
Release date:2015-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A diffraction-quality protein crystal processed as an autophagic cargo
Mol.Cell, 58, 2015
4P2E
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BU of 4p2e by Molmil
Acoustic transfer of protein crystals from agar pedestals to micromeshes for high throughput screening of heavy atom derivatives
Descriptor: CHLORIDE ION, COPPER (II) ION, Lysozyme C, ...
Authors:Cuttitta, C.M, Roessler, C.G, Ericson, D.L, Scalia, A, Teplitsky, E, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Sweet, R.M, Soares, A.S.
Deposit date:2014-03-03
Release date:2014-04-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening.
Acta Crystallogr.,Sect.D, 71, 2015
4P60
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BU of 4p60 by Molmil
Structure of the N-terminal domain of the human mitochondrial aspartate/glutamate carrier Aralar in the apo state
Descriptor: Calcium-binding mitochondrial carrier protein Aralar1, SODIUM ION
Authors:Thangaratnarajah, C, Ruprecht, J.J, Kunji, E.R.S.
Deposit date:2014-03-20
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Calcium-induced conformational changes of the regulatory domain of human mitochondrial aspartate/glutamate carriers.
Nat Commun, 5, 2014

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