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7W34
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BU of 7w34 by Molmil
The crystal structure of human CtsL in complex with 14b
Descriptor: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2021-11-25
Release date:2023-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
6VYC
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BU of 6vyc by Molmil
Crystal structure of WD-repeat domain of human WDR91
Descriptor: UNKNOWN ATOM OR ION, WD repeat-containing protein 91
Authors:Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
5UHF
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BU of 5uhf by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (4.345 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
7YHK
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BU of 7yhk by Molmil
Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5
Descriptor: 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, Q, Li, S, Li, T, Xue, W, Sun, H.
Deposit date:2022-07-13
Release date:2022-08-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
7DW5
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BU of 7dw5 by Molmil
Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites
Descriptor: BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2
Authors:Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G.
Deposit date:2021-01-15
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia.
Cancer Commun (Lond), 41, 2021
5UHA
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BU of 5uha by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.906 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
7E9Q
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BU of 7e9q by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9O
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BU of 7e9o by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7XQ2
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BU of 7xq2 by Molmil
Structure of hSLC19A1+2'3'-cGAMP
Descriptor: Reduced folate transporter, cGAMP
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XPZ
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BU of 7xpz by Molmil
Structure of Apo-hSLC19A1
Descriptor: Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ0
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BU of 7xq0 by Molmil
Structure of hSLC19A1+3'3'-CDA
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ1
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BU of 7xq1 by Molmil
Structure of hSLC19A1+2'3'-CDAS
Descriptor: (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7E9P
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BU of 7e9p by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(state2, local refinement of the RBD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9N
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BU of 7e9n by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENF
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BU of 7enf by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENG
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BU of 7eng by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 (local refinement of the RBD and Fab30)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, Light chain of Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-06-17
Release date:2022-03-23
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (4.79 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
3CTH
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BU of 3cth by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: Hepatocyte growth factor receptor, N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3X06
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BU of 3x06 by Molmil
Crystal structure of PIP4KIIBETA T201M complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X05
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BU of 3x05 by Molmil
Crystal structure of PIP4KIIBETA T201M complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X03
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BU of 3x03 by Molmil
Crystal structure of PIP4KIIBETA complex with AMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X01
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BU of 3x01 by Molmil
Crystal structure of PIP4KIIBETA complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X02
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BU of 3x02 by Molmil
Crystal structure of PIP4KIIBETA complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X09
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BU of 3x09 by Molmil
Crystal structure of PIP4KIIBETA F205L complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X04
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BU of 3x04 by Molmil
Crystal structure of PIP4KIIBETA complex with GMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016

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