4JN4
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![BU of 4jn4 by Molmil](/molmil-images/mine/4jn4) | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ... | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | Deposit date: | 2013-03-14 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP. Nat.Struct.Mol.Biol., 20, 2013
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4JNF
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![BU of 4jnf by Molmil](/molmil-images/mine/4jnf) | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | Descriptor: | Hsp70 CHAPERONE DnaK | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP. Nat.Struct.Mol.Biol., 20, 2013
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3QB5
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![BU of 3qb5 by Molmil](/molmil-images/mine/3qb5) | Human C3PO complex in the presence of MnSO4 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Ye, X, Huang, N, Liu, Y, Paroo, Z, Chen, S, Zhang, H, Liu, Q. | Deposit date: | 2011-01-12 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of C3PO and mechanism of human RISC activation. Nat.Struct.Mol.Biol., 18, 2011
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3I9O
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![BU of 3i9o by Molmil](/molmil-images/mine/3i9o) | Crystal structure of ADP ribosyl cyclase complexed with ribo-2'F-ADP ribose | Descriptor: | ADP-ribosyl cyclase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Graeff, R, Liu, Q, Kriksunov, I.A, Kotaka, M, Oppenheimer, N, Hao, Q, Lee, H.C. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mechanism of cyclizing NAD to cyclic ADP-ribose by ADP-ribosyl cyclase and CD38 J.Biol.Chem., 284, 2009
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4IQ8
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![BU of 4iq8 by Molmil](/molmil-images/mine/4iq8) | Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase 3 | Authors: | Wang, H, Liu, Q, Niu, L, Teng, M, Li, X. | Deposit date: | 2013-01-11 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Preliminary crystallographic analysis of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae. Acta Crystallogr.,Sect.F, 68, 2012
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5K0X
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![BU of 5k0x by Molmil](/molmil-images/mine/5k0x) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | Deposit date: | 2016-05-17 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem, 12, 2017
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8HB9
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![BU of 8hb9 by Molmil](/molmil-images/mine/8hb9) | Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Guo, G, Wang, B, Liu, J, Liu, Q. | Deposit date: | 2022-10-27 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor. Eur.J.Med.Chem., 256, 2023
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3QIO
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![BU of 3qio by Molmil](/molmil-images/mine/3qio) | Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor | Descriptor: | 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione, Gag-Pol polyprotein,Ribonuclease HI,Gag-Pol polyprotein, MANGANESE (II) ION, ... | Authors: | Lansdon, E.B, Liu, Q. | Deposit date: | 2011-01-27 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4011 Å) | Cite: | Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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1Y00
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![BU of 1y00 by Molmil](/molmil-images/mine/1y00) | Solution structure of the Carbon Storage Regulator protein CsrA | Descriptor: | Carbon storage regulator | Authors: | Gutierrez, P, Li, Y, Osborne, M.J, Liu, Q, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2004-11-13 | Release date: | 2005-06-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the carbon storage regulator protein CsrA from Escherichia coli. J.Bacteriol., 187, 2005
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3V9F
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![BU of 3v9f by Molmil](/molmil-images/mine/3v9f) | |
2ITG
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![BU of 2itg by Molmil](/molmil-images/mine/2itg) | CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C. | Deposit date: | 1996-09-13 | Release date: | 1997-03-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant. FEBS Lett., 398, 1996
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8F6T
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![BU of 8f6t by Molmil](/molmil-images/mine/8f6t) | Cryo-EM structure of alkane 1-monooxygenase AlkB-AlkG complex from Fontimonas thermophila | Descriptor: | Alkane 1-monooxygenase, DODECANE, FE (III) ION | Authors: | Chai, J, Guo, G, McSweeney, S, Shanklin, J, Liu, Q. | Deposit date: | 2022-11-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural basis for enzymatic terminal C-H bond functionalization of alkanes. Nat.Struct.Mol.Biol., 30, 2023
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4U9A
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![BU of 4u9a by Molmil](/molmil-images/mine/4u9a) | |
3DXX
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![BU of 3dxx by Molmil](/molmil-images/mine/3dxx) | Crystal structure of EcTrmB | Descriptor: | GLYCEROL, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W. | Deposit date: | 2008-07-25 | Release date: | 2009-05-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion Proteins, 76, 2009
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3DXZ
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![BU of 3dxz by Molmil](/molmil-images/mine/3dxz) | Crystal structure of EcTrmB in complex with SAH | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W. | Deposit date: | 2008-07-25 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion Proteins, 76, 2009
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3DXY
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![BU of 3dxy by Molmil](/molmil-images/mine/3dxy) | Crystal structure of EcTrmB in complex with SAM | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, SULFATE ION, ... | Authors: | Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W. | Deposit date: | 2008-07-25 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion Proteins, 76, 2009
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3EWG
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![BU of 3ewg by Molmil](/molmil-images/mine/3ewg) | Crystal structure of the N-terminal domain of NusG (NGN) from Methanocaldococcus jannaschii | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Putative transcription antitermination protein nusG | Authors: | Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W. | Deposit date: | 2008-10-15 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of NusG N-terminal (NGN) domain from Methanocaldococcus jannaschii and its interaction with rpoE'' Proteins, 76, 2009
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4YEB
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![BU of 4yeb by Molmil](/molmil-images/mine/4yeb) | Structural characterization of a synaptic adhesion complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibronectin leucine rich transmembrane protein 3, ... | Authors: | Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, von Daake, S, Li, S, Lee, D, Demeler, B, Hendrickson, W.A, Comoletti, D. | Deposit date: | 2015-02-23 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development. Structure, 23, 2015
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3OTT
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3QCQ
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![BU of 3qcq by Molmil](/molmil-images/mine/3qcq) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCY
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![BU of 3qcy by Molmil](/molmil-images/mine/3qcy) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide | Descriptor: | (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCX
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![BU of 3qcx by Molmil](/molmil-images/mine/3qcx) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3OTF
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![BU of 3otf by Molmil](/molmil-images/mine/3otf) | Structural basis for the cAMP-dependent gating in human HCN4 channel | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Xu, X, Vysotskaya, Z.V, Liu, Q, Zhou, L. | Deposit date: | 2010-09-11 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the cAMP-dependent gating in the human HCN4 channel. J.Biol.Chem., 285, 2010
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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