6JVT
 
 | | Crystal structure of human MTH1 in complex with compound MI1030 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVJ
 | | Crystal structure of human MTH1 in complex with compound MI1006 | | Descriptor: | 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVR
 | | Crystal structure of human MTH1 in complex with compound MI1026 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVI
 | | Crystal structure of human MTH1 in complex with compound MI0861 | | Descriptor: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Peng, C, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVP
 | | Crystal structure of human MTH1 in complex with compound MI1024 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVG
 | | Crystal structure of human MTH1 in complex with compound MI0639 | | Descriptor: | 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | | Authors: | Peng, C, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVQ
 | | Crystal structure of human MTH1 in complex with compound MI1025 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVH
 | | Crystal structure of human MTH1 in complex with compound MI0320 | | Descriptor: | 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase | | Authors: | Peng, C, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVO
 | | Crystal structure of human MTH1 in complex with compound MI1022 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVM
 | | Crystal structure of human MTH1 in complex with compound MI1016 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVF
 | | Crystal structure of human apo MTH1 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase | | Authors: | Peng, C, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVL
 | | Crystal structure of human MTH1 in complex with compound MI1014 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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5WX9
 | | Crystal Structure of AtERF96 with GCC-box | | Descriptor: | Ethylene-responsive transcription factor ERF096, GCC-box motif | | Authors: | Chen, C.Y, Cheng, Y.S. | | Deposit date: | 2017-01-06 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural insights into Arabidopsis ethylene response factor 96 with an extended N-terminal binding to GCC box.
Plant Mol.Biol., 104, 2020
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1ZNS
 | | Crystal structure of N-ColE7/12-bp DNA/Zn complex | | Descriptor: | 5'-D(*CP*GP*GP*GP*AP*TP*AP*TP*CP*CP*CP*G)-3', Colicin E7, ZINC ION | | Authors: | Doudeva, L.G, Huang, H, Hsia, K.C, Shi, Z, Li, C.L, Shen, Y, Yuan, H.S. | | Deposit date: | 2005-05-12 | | Release date: | 2006-03-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structural analysis and metal-dependent stability and activity studies of the ColE7 endonuclease domain in complex with DNA/Zn2+ or inhibitor/Ni2+
Protein Sci., 15, 2006
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1ZNV
 | | How a His-metal finger endonuclease ColE7 binds and cleaves DNA with a transition metal ion cofactor | | Descriptor: | Colicin E7, Colicin E7 immunity protein, NICKEL (II) ION, ... | | Authors: | Doudeva, L.G, Huang, H, Hsia, K.C, Shi, Z, Li, C.L, Shen, Y, Yuan, H.S. | | Deposit date: | 2005-05-12 | | Release date: | 2006-03-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structural analysis and metal-dependent stability and activity studies of the ColE7 endonuclease domain in complex with DNA/Zn2+ or inhibitor/Ni2+
Protein Sci., 15, 2006
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2D2R
 | | Crystal structure of Helicobacter pylori Undecaprenyl Pyrophosphate Synthase | | Descriptor: | Undecaprenyl Pyrophosphate Synthase | | Authors: | Kuo, C.J, Guo, R.T, Chen, C.L, Ko, T.P, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2005-09-16 | | Release date: | 2006-09-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure-based inhibitors exhibit differential activities against Helicobacter pylori and Escherichia coli undecaprenyl pyrophosphate synthases.
J.Biomed.Biotechnol., 2008, 2008
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6CYJ
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER, SUCCINYL-COENZYME A | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-05 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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6CZ6
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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6D2S
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-13 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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6CYY
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-07 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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1HVC
 | | CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-06-22 | | Release date: | 1994-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
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4YOM
 | | Structure of SAD kinase | | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase BRSK2 | | Authors: | Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W. | | Deposit date: | 2015-03-12 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
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4YNZ
 | | Structure of the N-terminal domain of SAD | | Descriptor: | Serine/threonine-protein kinase BRSK2 | | Authors: | Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W. | | Deposit date: | 2015-03-11 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
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3W28
 | | The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylotriose | | Descriptor: | Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | | Authors: | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
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3W29
 | | The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylotetraose | | Descriptor: | Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | | Authors: | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
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