5C1Z
 
 | | Parkin (UblR0RBR) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | | Deposit date: | 2015-06-15 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
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7NPW
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2N6C
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5AX2
 | | Crystal structure of S.cerevisiae Kti11p | | Descriptor: | CADMIUM ION, Diphthamide biosynthesis protein 3 | | Authors: | Kumar, A, Nagarathinam, K, Tanabe, M, Balbach, J. | | Deposit date: | 2015-07-13 | | Release date: | 2016-07-20 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hyperbolic Pressure-Temperature Phase Diagram of the Zinc-Finger Protein apoKti11 Detected by NMR Spectroscopy.
J Phys Chem B, 123, 2019
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4JKW
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2RKW
 | | Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1Ao ATP synthase | | Descriptor: | V-type ATP synthase beta chain | | Authors: | Kumar, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Gruber, G. | | Deposit date: | 2007-10-18 | | Release date: | 2008-09-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Spectroscopic and crystallographic studies of the mutant R416W give insight into the nucleotide binding traits of subunit B of the A1Ao ATP synthase
Proteins, 75, 2009
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4K55
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2M5R
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2MS6
 | | Human Telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with Flavonoid Quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3') | | Authors: | Kumar, A, Tawani, A. | | Deposit date: | 2014-07-24 | | Release date: | 2015-01-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence
Sci Rep, 5, 2015
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2MS5
 | | Structural dynamics of double-helical RNA having CAG motif | | Descriptor: | RNA_(5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3') | | Authors: | Kumar, A, Tawani, A. | | Deposit date: | 2014-07-23 | | Release date: | 2015-01-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Insights Reveal the Dynamics of the Repeating r(CAG) Transcript Found in Huntington's Disease (HD) and Spinocerebellar Ataxias (SCAs)
Plos One, 10, 2015
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3IKJ
 | | Structural characterization for the nucleotide binding ability of subunit A mutant S238A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, V-type ATP synthase alpha chain | | Authors: | Kumar, A, Manimekali, M.S.S, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2009-08-06 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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8QMZ
 | | Soluble epoxide hydrolase in complex with RK4 | | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-25 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8QN0
 | | Soluble epoxide hydrolase in complex with RK3 | | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-25 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8QZD
 | | Soluble epoxide hydrolase in complex with Epoxykinin | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | | Authors: | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-27 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
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3B2Q
 | | Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1Ao ATP synthase | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, ... | | Authors: | Kumar, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Gruber, G. | | Deposit date: | 2007-10-19 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Spectroscopic and crystallographic studies of the mutant R416W give insight into the nucleotide binding traits of subunit B of the A1Ao ATP synthase
Proteins, 75, 2009
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3DSR
 | | ADP in transition binding site in the subunit B of the energy converter A1Ao ATP synthase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase beta chain | | Authors: | Kumar, A, Manimekalai, S.M.S, Balakrishna, A.M, Gruber, G. | | Deposit date: | 2008-07-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the nucleotide-binding subunit B of the energy producer A1A0 ATP synthase in complex with adenosine diphosphate
Acta Crystallogr.,Sect.D, 64, 2008
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3P9N
 | | Rv2966c of M. tuberculosis is a RsmD-like methyltransferase | | Descriptor: | ACETATE ION, POSSIBLE METHYLTRANSFERASE (METHYLASE) | | Authors: | Kumar, A, Malhotra, K, Saigal, K, Sinha, K.M, Taneja, B. | | Deposit date: | 2010-10-18 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional characterization of Rv2966c protein reveals an RsmD-like methyltransferase from Mycobacterium tuberculosis and the role of its N-terminal domain in target recognition
J.Biol.Chem., 286, 2011
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5Y06
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5Y05
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7FFP
 | | Crystal structure of di-peptidase-E from Xenopus laevis | | Descriptor: | ASPARTIC ACID, Alpha-aspartyl dipeptidase, CALCIUM ION | | Authors: | Kumar, A, Singh, R, Makde, R.D. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly.
Proteins, 90, 2022
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4R60
 | | Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Proline dipeptidase, ... | | Authors: | Kumar, A, Ghosh, B, Are, V.N, Jamdar, S.N, Makde, R.D, Sharma, S.M. | | Deposit date: | 2014-08-22 | | Release date: | 2014-09-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris
to be published
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3SJ2
 | | A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome | | Descriptor: | ACETATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*GP*GP*CP*GP*GP*CP*GP*GP*GP*UP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*CP*CP*GP*GP*CP*GP*GP*CP*GP*GP*GP*UP*CP*C)-3') | | Authors: | Kumar, A, Pengfei, F, Park, H, Nettles, K, Guo, M, Disney, M.D. | | Deposit date: | 2011-06-20 | | Release date: | 2011-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome.
Chembiochem, 12, 2011
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3SZX
 | | Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations | | Descriptor: | RNA (5'-R(P*UP*UP*GP*GP*GP*CP*CP*UP*GP*CP*UP*GP*CP*UP*GP*GP*UP*CP*C)-3') | | Authors: | Kumar, A, Park, H, Pengfei, F, Parkesh, R, Guo, M, Nettles, K.W, Disney, M.D. | | Deposit date: | 2011-07-19 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations
Biochemistry, 50, 2011
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3SYW
 | | Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations | | Descriptor: | PHOSPHATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*UP*GP*CP*UP*GP*CP*UP*GP*GP*UP*CP*C)-3') | | Authors: | Kumar, A, Park, H, Pengfei, F, Parkesh, R, Guo, M, Nettles, K.W, Disney, M.D. | | Deposit date: | 2011-07-18 | | Release date: | 2012-04-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations
Biochemistry, 50, 2011
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4V3J
 | | Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MONOTREME LACTATING PROTEIN | | Authors: | Kumar, A, Newman, J, Polekina, G, Adams, T.E, Sharp, J.A, Peat, T.S, Nicholas, K.R. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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