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6M23
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BU of 6m23 by Molmil
Overall structure of KCC2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q.
Deposit date:2020-02-26
Release date:2020-11-04
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters.
Cell Res., 31, 2021
6M1Y
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BU of 6m1y by Molmil
The overall structure of KCC3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q.
Deposit date:2020-02-26
Release date:2020-11-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters.
Cell Res., 31, 2021
8K3K
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BU of 8k3k by Molmil
The crystal structure of nanobody Nb4 in complex with receptor binding domain (RBD) of BA.1 Spike protein
Descriptor: Nanobody Nb4, Spike protein S1
Authors:Wang, H.Y, Xu, W.Q.
Deposit date:2023-07-16
Release date:2024-01-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
6IV4
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BU of 6iv4 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation W252F
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-02
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IV1
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BU of 6iv1 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation I180T
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-02
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6OQ8
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BU of 6oq8 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F
Descriptor: 7F, Toxin B
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6P1Y
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BU of 6p1y by Molmil
Crystal structure of Mtb aspartate decarboxylase mutant M117I
Descriptor: AMMONIUM ION, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, ...
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-20
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6MIN
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BU of 6min by Molmil
Crystal structure of Taf14 YEATS domain G82A mutant in complex with histone H3K9cr
Descriptor: Histone H3K9cr, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
7MJU
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BU of 7mju by Molmil
Crystal structure of human AF10 PZP bound to histone H3 tail
Descriptor: Histone H3.1,Protein AF-10, ZINC ION
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2021-04-20
Release date:2021-08-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the PZP domain of AF10 in acute leukemia driven by AF10 translocations.
Nat Commun, 12, 2021
6MIM
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BU of 6mim by Molmil
Crystal structure of AF9 YEATS domain Y78W mutant in complex with histone H3K9cr
Descriptor: Histone H3K9cr, Protein AF-9
Authors:Vann, K.R, Klein, B.J, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
Descriptor: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
4LEX
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BU of 4lex by Molmil
Unliganded crystal structure of mAb7
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN
Authors:Murray, J.M, Mukund, S.
Deposit date:2013-06-26
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Inhibitory mechanism of an allosteric antibody targeting the glucagon receptor.
J.Biol.Chem., 288, 2013
6MIO
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BU of 6mio by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9pr
Descriptor: Histone H3K9pr, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIQ
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BU of 6miq by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9bu
Descriptor: Histone H3K9bu, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
Descriptor: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
7M4S
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BU of 7m4s by Molmil
Crystal structure of macrocyclase AMdnB from Anabaena sp. PCC 7120
Descriptor: AMdnB protein
Authors:Li, G, Bruner, S.D.
Deposit date:2021-03-22
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural and biochemical studies of an iterative ribosomal peptide macrocyclase.
Proteins, 90, 2022
7DGB
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BU of 7dgb by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.678 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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BU of 7dgh by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DHJ
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BU of 7dhj by Molmil
The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X.
Deposit date:2020-11-15
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
4LF3
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BU of 4lf3 by Molmil
Inhibitory Mechanism of an Allosteric Antibody Targeting the Glucagon Receptor
Descriptor: Fab heavy chain, Fab light chain, Glucagon receptor
Authors:Murray, J.M, Mukund, S.
Deposit date:2013-06-26
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.735 Å)
Cite:Inhibitory mechanism of an allosteric antibody targeting the glucagon receptor.
J.Biol.Chem., 288, 2013
4LJR
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BU of 4ljr by Molmil
Structural insights into the unique single-stranded DNA binding mode of DNA processing protein A from Helicobacter pylori
Descriptor: DNA processing chain A, single-stranded DNA
Authors:Wang, W.
Deposit date:2013-07-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the unique single-stranded DNA-binding mode of Helicobacter pylori DprA.
Nucleic Acids Res., 42, 2014
5EIG
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BU of 5eig by Molmil
Engineered human cystathionine gamma lyase (E59T, E339V) to deplet cysteine
Descriptor: CYSTEINE, Cystathionine gamma-lyase, SULFATE ION
Authors:Yan, W, Zhang, J.
Deposit date:2015-10-29
Release date:2016-11-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systemic Depletion of Serum L-Cyst(e)ine with an Engineered Human Enzyme Mediates Potent Induction of ROS and Cancer Ablation
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PDB entries from 2024-10-16

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