2BMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bmf by Molmil](/molmil-images/mine/2bmf) | Dengue virus RNA helicase at 2.4A | Descriptor: | RNA HELICASE | Authors: | Xu, T, Sampath, A, Chao, A, Wen, D, Nanao, M, Chene, P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2005-03-14 | Release date: | 2005-08-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure of the Dengue Virus Helicase/Nucleoside Triphosphatase Catalytic Domain at a Resolution of 2.4 A. J.Virol., 79, 2005
|
|
2B35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b35 by Molmil](/molmil-images/mine/2b35) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by triclosan | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | Deposit date: | 2005-09-19 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
|
|
2B37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b37 by Molmil](/molmil-images/mine/2b37) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-octyl-2-phenoxyphenol | Descriptor: | 5-OCTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | Deposit date: | 2005-09-19 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
|
|
2FHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fhs by Molmil](/molmil-images/mine/2fhs) | Structure of Acyl Carrier Protein Bound to FabI, the Enoyl Reductase from Escherichia Coli | Descriptor: | Acyl carrier protein, enoyl-[acyl-carrier-protein] reductase, NADH-dependent | Authors: | Kolappan, S, Novichenok, P, Rafi, S, Simmerling, C, Tonge, P.J, Kisker, C. | Deposit date: | 2005-12-27 | Release date: | 2006-10-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Acyl Carrier Protein Bound to FabI, the FASII Enoyl Reductase from Escherichia coli. J.Biol.Chem., 281, 2006
|
|
7YTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ytv by Molmil](/molmil-images/mine/7ytv) | |
8H7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h7b by Molmil](/molmil-images/mine/8h7b) | The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | Descriptor: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-19 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46408451 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8H7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h7f by Molmil](/molmil-images/mine/8h7f) | The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA | Descriptor: | 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-20 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45013428 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8H7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h7h by Molmil](/molmil-images/mine/8h7h) | The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA | Descriptor: | 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-20 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27789712 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
7W7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w7y by Molmil](/molmil-images/mine/7w7y) | The crystal structure of human abl1 kinase domain in complex with ABL2-A5 | Descriptor: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C, Zhang, Z.M. | Deposit date: | 2021-12-06 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20003033 Å) | Cite: | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7W7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w7x by Molmil](/molmil-images/mine/7w7x) | The crystal structure of human abl1 kinase domain in complex with ABL1-A11 | Descriptor: | 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C, Zhang, Z.M. | Deposit date: | 2021-12-06 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.0000093 Å) | Cite: | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
3JVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jvs by Molmil](/molmil-images/mine/3jvs) | Characterization of the Chk1 allosteric inhibitor binding site | Descriptor: | 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Chen, P. | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
|
|
3JVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jvr by Molmil](/molmil-images/mine/3jvr) | Characterization of the Chk1 allosteric inhibitor binding site | Descriptor: | (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1 | Authors: | Chen, P. | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
|
|
7U1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u1z by Molmil](/molmil-images/mine/7u1z) | Crystal structure of the DRBD and CROPs of TcdA | Descriptor: | SULFATE ION, Toxin A | Authors: | Baohua, C, Peng, C, Kay, P, Rongsheng, J. | Deposit date: | 2022-02-22 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structure and conformational dynamics of Clostridioides difficile toxin A. Life Sci Alliance, 5, 2022
|
|
7FJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fjo by Molmil](/molmil-images/mine/7fjo) | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
|
|
7FJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fjn by Molmil](/molmil-images/mine/7fjn) | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
|
|
7FJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fjs by Molmil](/molmil-images/mine/7fjs) | Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
|
|
8JLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jlp by Molmil](/molmil-images/mine/8jlp) | Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex | Descriptor: | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide, Gs, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jlk by Molmil](/molmil-images/mine/8jlk) | Ulotaront(SEP-363856)-bound mTAAR1-Gs protein complex | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jlq by Molmil](/molmil-images/mine/8jlq) | Fenoldopam-bound hTAAR1-Gs protein complex | Descriptor: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jln by Molmil](/molmil-images/mine/8jln) | T1AM-bound hTAAR1-Gs protein complex | Descriptor: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jlj by Molmil](/molmil-images/mine/8jlj) | T1AM-bound mTAAR1-Gs protein complex | Descriptor: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jso by Molmil](/molmil-images/mine/8jso) | AMPH-bound hTAAR1-Gs protein complex | Descriptor: | (2S)-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-20 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jlo by Molmil](/molmil-images/mine/8jlo) | Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jlr by Molmil](/molmil-images/mine/8jlr) | A77636-bound hTAAR1-Gs protein complex | Descriptor: | (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|
8JSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jsp by Molmil](/molmil-images/mine/8jsp) | Ulotaront(SEP-363856)-bound Serotonin 1A (5-HT1A) receptor-Gi complex | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 5-hydroxytryptamine receptor 1A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-20 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
|
|