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6J72
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BU of 6j72 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis with GTP bound
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ...
Authors:Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
Deposit date:2019-01-16
Release date:2019-09-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
6J73
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BU of 6j73 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis
Descriptor: Isoniazid inducible gene protein IniA
Authors:Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
Deposit date:2019-01-16
Release date:2019-09-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.211 Å)
Cite:Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
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:2022-09-21
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:2022-09-21
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
6JFP
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BU of 6jfp by Molmil
Crystal structure of the beta-glucosidase Bgl15
Descriptor: beta-D-glucopyranose, beta-glucosidase 15
Authors:Xie, W, Chen, R.
Deposit date:2019-02-11
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering of beta-Glucosidase Bgl15 with Simultaneously Enhanced Glucose Tolerance and Thermostability To Improve Its Performance in High-Solid Cellulose Hydrolysis.
J.Agric.Food Chem., 68, 2020
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: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
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
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:2022-09-21
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
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:2022-09-21
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
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
Descriptor: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-10-19
Release date:2016-11-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
6IOJ
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BU of 6ioj by Molmil
Glyceraldehyde-3-phosphate dehydrogenase A (apo-form)
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A
Authors:Wang, H, Sun, H, Wang, M.
Deposit date:2018-10-30
Release date:2019-07-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Chem Sci, 10, 2019
6IO4
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BU of 6io4 by Molmil
Silver-bound Glyceraldehyde-3-phosphate dehydrogenase A
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, SILVER ION
Authors:Wang, H, Sun, H, Wang, M.
Deposit date:2018-10-29
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Chem Sci, 10, 2019
4RBY
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BU of 4rby by Molmil
First X-ray structure of RNA containing guanosine phosphorodithioate
Descriptor: 5'-R(*CP*GP*CP*(2SG)P*AP*AP*UP*UP*AP*GP*CP*G)-3', STRONTIUM ION
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-09-13
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal Structure, Stability and siRNA Activity of Phosphorodithioate-Modified RNAs
To be Published
4RC0
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BU of 4rc0 by Molmil
X-ray structure of RNA containing guanosine phosphorodithioate
Descriptor: 5'-R(*CP*GP*CP*GP*AP*AP*UP*UP*(A2M)P*(2SG)P*CP*G)-3'
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-09-13
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal Structure, Stability and siRNA Activity of Phosphorodithioate-Modified RNAs
To be Published
7KL8
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BU of 7kl8 by Molmil
Structure of F420 binding protein Rv1558 from Mycobacterium tuberculosis with F420 bound
Descriptor: COENZYME F420, COENZYME F420-3, Deazaflavin-dependent nitroreductase, ...
Authors:Lee, B.M, Tan, L.L, Jackson, C.J.
Deposit date:2020-10-29
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F 420 H 2 -dependent reduction.
Proc.Natl.Acad.Sci.USA, 118, 2021
5TTU
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BU of 5ttu by Molmil
Jak3 with covalent inhibitor 7
Descriptor: 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
4R0E
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BU of 4r0e by Molmil
Crystal Structure of the Poliovirus RNA-Dependent RNA Polymerase Low-Fidelity Mutant 3Dpol H273R
Descriptor: RNA-directed RNA polymerase
Authors:Marcotte, L.L, Gohara, D.W, Filman, D.J, Hogle, J.M.
Deposit date:2014-07-30
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Dynamics as a Contributor to Error-prone Replication by an RNA-dependent RNA Polymerase.
J.Biol.Chem., 289, 2014
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
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
Descriptor: 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
Deposit date:2022-07-04
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.642 Å)
Cite:Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
4RBZ
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BU of 4rbz by Molmil
X-ray structure of RNA containing adenosine phosphorodithioate
Descriptor: 5'-R(*CP*GP*CP*GP*(A2M)P*(ADS)P*UP*UP*AP*GP*CP*G)-3'
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-09-13
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal Structure, Stability and siRNA Activity of Phosphorodithioate-Modified RNAs
To be Published
4NJC
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BU of 4njc by Molmil
RNA Polymerase interacting protein YkzG from Geobacillus stearothermophilus
Descriptor: Geobacillus stearothermophilus YkzG
Authors:Keller, A.N, Lewis, P.J.
Deposit date:2013-11-09
Release date:2014-08-20
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:epsilon, a New Subunit of RNA Polymerase Found in Gram-Positive Bacteria
J.Bacteriol., 196, 2014
8JWZ
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BU of 8jwz by Molmil
Crystal structure of A2AR-T4L in complex with AB928
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
2BV1
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BU of 2bv1 by Molmil
Regulator of G-protein Signalling 1 (Human)
Descriptor: REGULATOR OF G-PROTEIN SIGNALLING 1
Authors:Elkins, J.M, Yang, X, Soundararajan, M, Schoch, G.A, Haroniti, A, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A.
Deposit date:2005-06-20
Release date:2005-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc. Natl. Acad. Sci. U.S.A., 105, 2008
7WS6
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BU of 7ws6 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
Descriptor: 510A5 heavy chain, 510A5 light chain, Spike protein S1
Authors:Guo, H, Gao, Y, Ji, X, Yang, H.
Deposit date:2022-01-28
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022

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