1JB4
 
 | | CRYSTAL STRUCTURE OF NTF2 M102E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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4ZBH
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1GM7
 | | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G, ... | | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | | Deposit date: | 2001-09-11 | | Release date: | 2001-11-28 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism
J.Mol.Biol., 313, 2001
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4YZ2
 | | Crystal Structure of Streptococcus pneumoniae NanC, in complex with 2-deoxy-2,3-didehydro-N-acetylneuraminic acid. | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase NanC | | Authors: | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | | Deposit date: | 2015-03-24 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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5AA3
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5AG7
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND | | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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5A8A
 | | Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with FMN and ADP (P3 2 21) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M. | | Deposit date: | 2015-07-13 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms.
Acta Crystallogr.,Sect.D, 71, 2015
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6DGE
 | | Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine | | Authors: | Monzingo, A.F, Burstein-Teitelbaum, G, Er, J.A.V, Tuley, A, Fast, W. | | Deposit date: | 2018-05-17 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Dissection, Optimization, and Structural Analysis of a Covalent Irreversible DDAH1 Inhibitor.
Biochemistry, 57, 2018
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1JVQ
 | | Crystal structure at 2.6A of the ternary complex between antithrombin, a P14-P8 reactive loop peptide, and an exogenous tetrapeptide | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTITHROMBIN-III, ... | | Authors: | Zhou, A, Huntington, J.A, Lomas, D.A, Carrell, R.W, Stein, P.E. | | Deposit date: | 2001-08-31 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | How small peptides block and reverse serpin polymerisation
J.Mol.Biol., 342, 2004
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5A9K
 | | Structural basis for DNA strand separation by a hexameric replicative helicase | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, REPLICATION PROTEIN E1 | | Authors: | Chaban, Y, Stead, J.A, Ryzhenkova, K, Whelan, F, Lamber, K, Antson, F, Sanders, C.M, Orlova, E.V. | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-26 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (19 Å) | | Cite: | Structural Basis for DNA Strand Separation by a Hexameric Replicative Helicase.
Nucleic Acids Res., 43, 2015
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3GZG
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4YKQ
 | | Heat Shock Protein 90 Bound to CS301 | | Descriptor: | 1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha | | Authors: | Kang, Y.N, Stuckey, J.A. | | Deposit date: | 2015-03-04 | | Release date: | 2016-03-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of Heat Shock Protein 90 Bound to CS301
To Be Published
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1JB5
 | | CRYSTAL STRUCTURE OF NTF2 M118E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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4YBK
 | | C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase | | Descriptor: | 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | | Deposit date: | 2015-02-18 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
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4YEX
 | | HUaa-19bp | | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | | Deposit date: | 2015-02-24 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
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4YHS
 | | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Monosaccharide ABC transporter substrate-binding protein, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-02-27 | | Release date: | 2015-03-18 | | Last modified: | 2015-10-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS
To be published
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6BI9
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid | | Descriptor: | 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
To Be Published
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1JPD
 | | L-Ala-D/L-Glu Epimerase | | Descriptor: | L-Ala-D/L-Glu Epimerase | | Authors: | Gulick, A.M, Schmidt, D.M.Z, Gerlt, J.A, Rayment, I. | | Deposit date: | 2001-08-01 | | Release date: | 2001-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystal structures of the L-Ala-D/L-Glu epimerases from Escherichia coli and Bacillus subtilis.
Biochemistry, 40, 2001
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4YKY
 | | Heat Shock Protein 90 Bound to CS319 | | Descriptor: | (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone, GLYCEROL, Heat shock protein HSP 90-alpha | | Authors: | Kang, Y.N, Stuckey, J.A. | | Deposit date: | 2015-03-04 | | Release date: | 2016-03-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of Heat Shock Protein 90 Bound to CS319
To Be Published
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4Y64
 | | AAGlyB in complex with amino-acid analogues | | Descriptor: | 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | Deposit date: | 2015-02-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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1J7Q
 | | Solution structure and backbone dynamics of the defunct EF-hand domain of Calcium Vector Protein | | Descriptor: | Calcium Vector Protein | | Authors: | Theret, I, Baladi, S, Cox, J.A, Gallay, J, Sakamoto, H, Craescu, C.T. | | Deposit date: | 2001-05-18 | | Release date: | 2001-06-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of the defunct domain of calcium vector protein.
Biochemistry, 40, 2001
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4Y72
 | | Human CDK1/CyclinB1/CKS2 With Inhibitor | | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | Authors: | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2015-02-13 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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4Y9T
 | | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GLUCOSAMINE | | Descriptor: | 2-amino-2-deoxy-alpha-D-glucopyranose, ABC transporter, solute binding protein | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-02-17 | | Release date: | 2015-03-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine.
Acta Crystallogr.,Sect.F, 72, 2016
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1II8
 | | Crystal structure of the P. furiosus Rad50 ATPase domain | | Descriptor: | PHOSPHATE ION, Rad50 ABC-ATPase | | Authors: | Hopfner, K.-P, Karcher, A, Craig, L, Woo, T.T, Carney, J.P, Tainer, J.A. | | Deposit date: | 2001-04-20 | | Release date: | 2001-05-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural biochemistry and interaction architecture of the DNA double-strand break repair Mre11 nuclease and Rad50-ATPase.
Cell(Cambridge,Mass.), 105, 2001
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6C39
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