6L12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l12 by Molmil](/molmil-images/mine/6l12) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-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: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
|
|
6L16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l16 by Molmil](/molmil-images/mine/6l16) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, 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 (2.1 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
|
|
6L17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l17 by Molmil](/molmil-images/mine/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 | 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
|
|
6L11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l11 by Molmil](/molmil-images/mine/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
|
|
6L13
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l13 by Molmil](/molmil-images/mine/6l13) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, 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: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
|
|
6L14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l14 by Molmil](/molmil-images/mine/6l14) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, 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 (1.95 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
|
|
4RHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rhd by Molmil](/molmil-images/mine/4rhd) | DNA Duplex with Novel ZP Base Pair | Descriptor: | DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION | Authors: | Zhang, W, Zhang, L, Benner, S, Huang, Z. | Deposit date: | 2014-10-01 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of functional six-nucleotide DNA. J.Am.Chem.Soc., 137, 2015
|
|
1JXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jxz by Molmil](/molmil-images/mine/1jxz) | Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product) | Descriptor: | 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ... | Authors: | Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M. | Deposit date: | 2001-09-10 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis Biochemistry, 40, 2001
|
|
1U7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u7r by Molmil](/molmil-images/mine/1u7r) | |
1U7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u7s by Molmil](/molmil-images/mine/1u7s) | |
7KW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kw4 by Molmil](/molmil-images/mine/7kw4) | L-DNA containing 2'-fluoro modification | Descriptor: | DNA (5'-D(*(0DG)P*(0FU)P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DA)P*(0DC))-3'), MAGNESIUM ION | Authors: | Zhang, W, Zhang, Y. | Deposit date: | 2020-11-29 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Synthesis and Structural Characterization of 2'-Deoxy-2'-fluoro-l-uridine Nucleic Acids. Org.Lett., 23, 2021
|
|
5C7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c7m by Molmil](/molmil-images/mine/5c7m) | CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Polyubiquitin-C | Authors: | Walker, J.R, Hu, J, Dong, A, Wernimont, A, Zhang, W, Sidhu, S, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-24 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016
|
|
2L32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l32 by Molmil](/molmil-images/mine/2l32) | |
4I41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i41 by Molmil](/molmil-images/mine/4i41) | Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Xie, Y, Huang, N. | Deposit date: | 2012-11-27 | Release date: | 2013-12-11 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling. J. Med. Chem., 56, 2013
|
|
6U7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u7z by Molmil](/molmil-images/mine/6u7z) | RNA hairpin structure containing one TNA nucleotide as primer | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*GP*CP*CP*GP*AP*AP*AP*GP*(TG))-3') | Authors: | Szostak, J.W, Zhang, W. | Deposit date: | 2019-09-03 | Release date: | 2020-12-09 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
|
|
6U8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u8u by Molmil](/molmil-images/mine/6u8u) | RNA duplex bound with TNA 3'-3' imidazolium dimer | Descriptor: | 2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | Authors: | Szostak, J.W, Zhang, W. | Deposit date: | 2019-09-05 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
|
|
2L83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l83 by Molmil](/molmil-images/mine/2l83) | A protein from Haloferax volcanii | Descriptor: | Small archaeal modifier protein 1 | Authors: | Zhang, W, Liao, S, Fan, K, Tu, X. | Deposit date: | 2011-01-03 | Release date: | 2012-01-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii. Protein Sci., 22, 2013
|
|
8F27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f27 by Molmil](/molmil-images/mine/8f27) | Mirror-image DNA containing 2'-OMe-L-uridine residue | Descriptor: | Mirror-image DNA (5'-D(*(0DG)P*(0MU)P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DA)P*(0DC))-3'), SULFATE ION | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2022-11-07 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization. Chembiochem, 24, 2023
|
|
8F5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f5c by Molmil](/molmil-images/mine/8f5c) | Mirror-image DNA containing 2'-OMe-L-dC modification | Descriptor: | DNA (5'-D(*(0DG))-R(P*(XE6))-D(P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DG)P*(0DC))-3'), MAGNESIUM ION | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2022-11-13 | Release date: | 2023-09-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Synthesis and Structural Characterization of 2'-Deoxy-2'-Methoxy-L-Cytidine Nucleic Acids Chemistryselect, 2023
|
|
8SX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sx6 by Molmil](/molmil-images/mine/8sx6) | RNA duplex bound with GMP and AMP monomers | Descriptor: | ADENOSINE MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
|
|
8SWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8swg by Molmil](/molmil-images/mine/8swg) | RNA duplex bound with GpppA dinucleotide ligand | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3') | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-18 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
|
|
8SX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sx5 by Molmil](/molmil-images/mine/8sx5) | GpppA dinucleotide binding to RNA CU template | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3') | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
|
|
8SXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sxl by Molmil](/molmil-images/mine/8sxl) | RNA UU template binding to AMP monomer | Descriptor: | ADENOSINE MONOPHOSPHATE, RNA (5'-R(*(TLN)P*(TLN)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-22 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
|
|
8SWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8swo by Molmil](/molmil-images/mine/8swo) | GpppA dinucleotide ligand binding to RNA UC template | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3') | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
|
|
8SY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sy1 by Molmil](/molmil-images/mine/8sy1) | RNA duplex bound with imidazolium bridged GA dinucleotide | Descriptor: | RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GMA))-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-24 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
|
|