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5TX3
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BU of 5tx3 by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, Maternal embryonic leucine zipper kinase
Authors:Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWU
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BU of 5twu by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: Maternal embryonic leucine zipper kinase
Authors:Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
Deposit date:2016-11-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
6B9V
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BU of 6b9v by Molmil
Crystal Structure of a New Diphosphatase from the PhnP Family
Descriptor: Beta-lactamase-like protein, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Li, Q, Bruner, S.D.
Deposit date:2017-10-11
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An unusual diphosphatase from the PhnP family cleaves reactive FAD photoproducts.
Biochem.J., 475, 2018
6BTG
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BU of 6btg by Molmil
Crystal structure of deoxyribose-phosphate aldolase bound with DHAP from Bacillus Thuringiensis
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fuculose phosphate aldolase, MANGANESE (II) ION
Authors:Li, Q, Bruner, S.D.
Deposit date:2017-12-06
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Salvage of the 5-deoxyribose byproduct of radical SAM enzymes.
Nat Commun, 9, 2018
6BTD
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BU of 6btd by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Bacillus Thuringiensis involved in dispatching the ubiquitous radical SAM enzyme byproduct 5-deoxyribose
Descriptor: Fuculose phosphate aldolase, MANGANESE (II) ION, SULFATE ION
Authors:Li, Q, Bruner, S.D.
Deposit date:2017-12-06
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Salvage of the 5-deoxyribose byproduct of radical SAM enzymes.
Nat Commun, 9, 2018
1B8C
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BU of 1b8c by Molmil
PARVALBUMIN
Descriptor: MAGNESIUM ION, PROTEIN (PARVALBUMIN)
Authors:Cates, M.S, Berry, M.B, Ho, E.L, Li, Q, Potter, J.D, Phillips Jr, G.N.
Deposit date:1999-01-29
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin.
Structure Fold.Des., 7, 1999
8H83
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BU of 8h83 by Molmil
Crystal structure of a IsPETase variant V22 from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Wei, H.L, Gao, S.F, Li, Q, Han, X, Gao, J, Liu, W.D.
Deposit date:2022-10-21
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of a IsPETase variant V22 from Ideonella sakaiensis
to be published
8J5N
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BU of 8j5n by Molmil
Crystal structure of a PETase variant V20 from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Wei, H.L, Gao, S.F, Li, Q, Liu, W.D, Zhu, L.L.
Deposit date:2023-04-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a PETase variant V20 from Ideonella sakaiensis
To Be Published
1B9A
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BU of 1b9a by Molmil
PARVALBUMIN (MUTATION;D51A, F102W)
Descriptor: CALCIUM ION, PROTEIN (PARVALBUMIN)
Authors:Cates, M.S, Berry, M.B, Ho, E.L, Li, Q, Potter, J.D, Phillips Jr, G.N.
Deposit date:1999-02-10
Release date:1999-02-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin.
Structure Fold.Des., 7, 1999
1B8L
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BU of 1b8l by Molmil
Calcium-bound D51A/E101D/F102W Triple Mutant of Beta Carp Parvalbumin
Descriptor: CALCIUM ION, CARBONATE ION, PROTEIN (PARVALBUMIN)
Authors:Cates, M.S, Berry, M.B, Ho, E, Li, Q, Potter, J.D, Phillips Jr, G.N.
Deposit date:1999-02-01
Release date:1999-10-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin.
Structure Fold.Des., 7, 1999
1B8R
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BU of 1b8r by Molmil
PARVALBUMIN
Descriptor: CALCIUM ION, PROTEIN (PARVALBUMIN)
Authors:Cates, M.S, Berry, M.B, Ho, E.L, Li, Q, Potter, J.D, Phillips Jr, G.N.
Deposit date:1999-02-02
Release date:1999-02-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin.
Structure Fold.Des., 7, 1999
2UZT
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BU of 2uzt by Molmil
PKA structures of AKT, indazole-pyridine inhibitors
Descriptor: (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZU
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BU of 2uzu by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
Descriptor: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZV
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BU of 2uzv by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
Descriptor: (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZW
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BU of 2uzw by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2XCN
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BU of 2xcn by Molmil
Crystal structure of HCV NS3 protease with a boronate inhibitor
Descriptor: MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ...
Authors:Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
Deposit date:2010-04-23
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XCF
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Crystal structure of HCV NS3 protease with a boronate inhibitor
Descriptor: CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ...
Authors:Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
Deposit date:2010-04-22
Release date:2010-06-02
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XNI
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Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates
Descriptor: (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ...
Authors:Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J.
Deposit date:2010-08-02
Release date:2011-08-17
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
1NI1
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BU of 1ni1 by Molmil
Imidazole and cyanophenyl farnesyl transferase inhibitors
Descriptor: 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
Authors:Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L.
Deposit date:2002-12-20
Release date:2004-04-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003
7SA4
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BU of 7sa4 by Molmil
Damaged 70S ribosome with PrfH bound
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Tian, Y, Zeng, F, Raybarman, A, Carruthers, A, Li, Q, Fatma, S, Huang, R.H.
Deposit date:2021-09-22
Release date:2022-08-03
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Sequential rescue and repair of stalled and damaged ribosome by bacterial PrfH and RtcB.
Proc.Natl.Acad.Sci.USA, 119, 2022
2N7G
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BU of 2n7g by Molmil
Structure of the cyclic nucleotide-binding homology domain of the hERG channel
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Li, Y, Ng, H, Li, Q, Kang, C.
Deposit date:2015-09-10
Release date:2016-05-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the Cyclic Nucleotide-Binding Homology Domain of the hERG Channel and Its Insight into Type 2 Long QT Syndrome
Sci Rep, 6, 2016
2N7R
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BU of 2n7r by Molmil
Structure of the transmembrane domain of human nicastrin in DPC micelles
Descriptor: Nicastrin
Authors:Li, Y, Liew, L, Li, Q, Kang, C.
Deposit date:2015-09-17
Release date:2016-04-27
Method:SOLUTION NMR
Cite:Structure of the transmembrane domain of human nicastrin-a component of gamma-secretase
Sci Rep, 6, 2016
2N7Q
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BU of 2n7q by Molmil
Structure of the transmembrane domain of human nicastrin in SDS micelles
Descriptor: Nicastrin
Authors:Li, Y, Liew, L, Li, Q, Kang, C.
Deposit date:2015-09-17
Release date:2016-04-27
Method:SOLUTION NMR
Cite:Structure of the transmembrane domain of human nicastrin-a component of gamma-secretase
Sci Rep, 6, 2016
3AL4
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BU of 3al4 by Molmil
Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Zhang, W, Qi, J.X, Shi, Y, Li, Q, Yan, J.H, Gao, G.F.
Deposit date:2010-07-22
Release date:2010-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.872 Å)
Cite:Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus
Protein Cell, 1, 2010
4QEI
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Two distinct conformational states of GlyRS captured in crystal lattice
Descriptor: ADENOSINE MONOPHOSPHATE, Glycine--tRNA ligase, tRNA-Gly-CCC-2-2
Authors:Xie, W, Qin, X, Deng, X, Zhang, Q, Li, Q.
Deposit date:2014-05-16
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.875 Å)
Cite:Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016

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