6L17
 
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-09-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6L11
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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3IQR
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3IQP
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6VZS
 | | Engineered TTLL6 mutant bound to gamma-elongation analog | | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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1BSO
 | | 12-BROMODODECANOIC ACID BINDS INSIDE THE CALYX OF BOVINE BETA-LACTOGLOBULIN | | Descriptor: | 12-BROMODODECANOIC ACID, PROTEIN (BOVINE BETA-LACTOGLOBULIN A) | | Authors: | Qin, B.Y, Creamer, L.K, Baker, E.N, Jameson, G.B. | | Deposit date: | 1998-08-29 | | Release date: | 1999-09-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | 12-Bromododecanoic acid binds inside the calyx of bovine beta-lactoglobulin.
FEBS Lett., 438, 1998
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6VZU
 | | TTLL6 bound to alpha-elongation analog | | Descriptor: | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.B, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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3MNL
 | | The crystal structure of KstR (Rv3574) from Mycobacterium tuberculosis H37Rv | | Descriptor: | TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY TETR-FAMILY), TRIETHYLENE GLYCOL | | Authors: | Gao, C, Bunker, R.D, ten Bokum, A, Kendall, S.L, Stoker, N.G, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2010-04-21 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J. Biol. Chem., 291, 2016
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6VZQ
 | | Engineered TTLL6 mutant bound to alpha-elongation analog | | Descriptor: | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, E.K, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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6VZT
 | | TTLL6 bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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6VZV
 | | TTLL6 bound to gamma-elongation analog | | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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6GEP
 | | SULFITE REDUCTASE HEMOPROTEIN NITRIC OXIDE COMPLEX REDUCED WITH PROFLAVINE EDTA | | Descriptor: | IRON/SULFUR CLUSTER, NITRIC OXIDE, POTASSIUM ION, ... | | Authors: | Crane, B.R, Getzoff, E.D. | | Deposit date: | 1997-07-10 | | Release date: | 1998-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
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2HRI
 | | A parallel stranded human telomeric quadruplex in complex with the porphyrin TMPyP4 | | Descriptor: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, 5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3', POTASSIUM ION | | Authors: | Parkinson, G.N, Ghosh, R, Neidle, S. | | Deposit date: | 2006-07-20 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis for binding of porphyrin to human telomeres.
Biochemistry, 46, 2007
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6ZM3
 | | The structure of an E2 ubiquitin-conjugating complex (UBC2-UEV1) essential for Leishmania amastigote differentiation | | Descriptor: | Putative ubiquitin-conjugating enzyme e2, Ubiquitin-conjugating enzyme-like protein | | Authors: | Burge, R.J, Dodson, E.J, Wilkinson, A.J, Mottram, J.C. | | Deposit date: | 2020-07-01 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Leishmania differentiation requires ubiquitin conjugation mediated by a UBC2-UEV1 E2 complex.
Plos Pathog., 16, 2020
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3LTG
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7ACN
 | | CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND | | Descriptor: | ACONITASE, IRON/SULFUR CLUSTER, ISOCITRIC ACID | | Authors: | Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D. | | Deposit date: | 1991-05-15 | | Release date: | 1993-10-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of aconitase with isocitrate and nitroisocitrate bound.
Biochemistry, 31, 1992
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5M45
 | | Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus | | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Kabasakal, B.V, Wells, J.N, Nwaobi, B.C, Eilers, B.J, Peters, J.W, Murray, J.W. | | Deposit date: | 2016-10-18 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
Sci Rep, 7, 2017
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2FDG
 | | Crystal Structure of AlkB in complex with Fe(II), succinate, and methylated trinucleotide T-meA-T | | Descriptor: | 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, FE (II) ION, ... | | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-12-13 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB.
Nature, 439, 2006
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2EYR
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6O9I
 | | Ternary complex of mouse ECD with Fab1 and Fab2 | | Descriptor: | 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ... | | Authors: | Min, X, Wang, Z. | | Deposit date: | 2019-03-13 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
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5LLE
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
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1MK7
 | | CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA | | Descriptor: | Integrin Beta3, TALIN | | Authors: | Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C. | | Deposit date: | 2002-08-28 | | Release date: | 2003-01-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Determinants of Integrin Recognition by Talin
Mol.Cell, 11, 2003
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1MMA
 | | X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN | | Authors: | Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I. | | Deposit date: | 1997-07-18 | | Release date: | 1997-12-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Biochemistry, 36, 1997
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6O5H
 | | The effect of modifier structure on the activation of leukotriene A4 hydrolase aminopeptidase activity. | | Descriptor: | 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine, Leukotriene A-4 hydrolase, ZINC ION | | Authors: | Noble, S.M, Lee, K.H, Paige, M. | | Deposit date: | 2019-03-03 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Effect of Modifier Structure on the Activation of Leukotriene A4Hydrolase Aminopeptidase Activity.
J.Med.Chem., 62, 2019
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2FNS
 | | Crystal structure of wild-type inactive (D25N) HIV-1 protease complexed with wild-type HIV-1 NC-p1 substrate. | | Descriptor: | ACETATE ION, NC-P1 SUBSTRATE PEPTIDE, PHOSPHATE ION, ... | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, Schiffer, C.A. | | Deposit date: | 2006-01-11 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
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