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6L16
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BU of 6l16 by Molmil
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
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BU of 6l17 by Molmil
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
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BU of 6l11 by Molmil
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
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BU of 6l13 by Molmil
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
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BU of 6l14 by Molmil
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
7XSV
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BU of 7xsv by Molmil
Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3
Descriptor: 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1
Authors:Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H.
Deposit date:2022-05-15
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
6KEV
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BU of 6kev by Molmil
Reduced phosphoribulokinase from Synechococcus elongatus PCC 7942 complexed with adenosine diphosphate and glucose 6-phosphate
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Yu, A, Xie, Y, Li, M.
Deposit date:2019-07-05
Release date:2020-05-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.506139 Å)
Cite:Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
6KEZ
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BU of 6kez by Molmil
Crystal structure of GAPDH/CP12/PRK complex from Arabidopsis thaliana
Descriptor: Calvin cycle protein CP12-2, Glyceraldehyde-3-phosphate dehydrogenase GAPA1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yu, A, Xie, Y, Li, M.
Deposit date:2019-07-05
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
6KEW
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BU of 6kew by Molmil
Crystal structure of oxidized phosphoribulokinase from Arabidopsis thaliana
Descriptor: Phosphoribulokinase
Authors:Yu, A, Xie, Y, Li, M.
Deposit date:2019-07-05
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
6KEX
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BU of 6kex by Molmil
Crystal structure of reduced phosphoribulokinase from Arabidopsis thaliana
Descriptor: Phosphoribulokinase
Authors:Yu, A, Xie, Y, Li, M.
Deposit date:2019-07-05
Release date:2020-05-13
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
7WRI
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BU of 7wri by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with mouse ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Han, P, Xie, Y, Qi, J.
Deposit date:2022-01-26
Release date:2022-06-08
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
7WRA
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BU of 7wra by Molmil
Mouse TRPM8 in LMNG in ligand-free state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily M member 8
Authors:Zhao, C, Xie, Y, Guo, J.
Deposit date:2022-01-26
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRF
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BU of 7wrf by Molmil
Mouse TRPM8 in lipid nanodiscs in the presence of calcium, icilin and PI(4,5)P2
Descriptor: CALCIUM ION, Icilin, SODIUM ION, ...
Authors:Zhao, C, Xie, Y, Guo, J.
Deposit date:2022-01-26
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRE
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BU of 7wre by Molmil
Mouse TRPM8 in lipid nanodiscs in the presence of calcium and icilin
Descriptor: CALCIUM ION, Icilin, Transient receptor potential cation channel subfamily M member 8
Authors:Zhao, C, Xie, Y, Guo, J.
Deposit date:2022-01-26
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRD
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BU of 7wrd by Molmil
Mouse TRPM8 in LMNG in the presence of calcium and icilin
Descriptor: CALCIUM ION, Icilin, Transient receptor potential cation channel subfamily M member 8
Authors:Zhao, C, Xie, Y, Guo, J.
Deposit date:2022-01-26
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRC
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BU of 7wrc by Molmil
Mouse TRPM8 in LMNG in the presence of calcium, icilin and PI(4,5)P2
Descriptor: CALCIUM ION, Icilin, Transient receptor potential cation channel subfamily M member 8
Authors:Zhao, C, Xie, Y, Guo, J.
Deposit date:2022-01-26
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRB
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BU of 7wrb by Molmil
Mouse TRPM8 in LMNG in the presence of calcium
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 8
Authors:Zhao, C, Xie, Y, Guo, J.
Deposit date:2022-01-26
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRH
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BU of 7wrh by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Han, P, Xie, Y, Qi, J.
Deposit date:2022-01-26
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNO
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BU of 6pno by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
7F45
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BU of 7f45 by Molmil
Structure of an Anti-CRISPR protein
Descriptor: AcrIF5
Authors:Feng, Y.
Deposit date:2021-06-17
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022
7EQG
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BU of 7eqg by Molmil
Structure of Csy-AcrIF5
Descriptor: AcrIF5, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-05-01
Release date:2022-03-09
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022
7VKA
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BU of 7vka by Molmil
Crystal Structure of GH3.6 in complex with an inhibitor
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ...
Authors:Wang, N, Luo, M, Bao, H, Huang, H.
Deposit date:2021-09-29
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Proc.Natl.Acad.Sci.USA, 119, 2022
6ABS
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BU of 6abs by Molmil
Actin interacting protein 5 (Aip5, mutant)
Descriptor: Actin binding protein, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Sun, J, Ying, X, Toh, J, Hong, W, Miao, Y, Gao, Y.G.
Deposit date:2018-07-23
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019

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