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8DDZ
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BU of 8ddz by Molmil
TEM-1 beta-lactamase A237Y
Descriptor: Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE1
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BU of 8de1 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE2
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BU of 8de2 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE0
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BU of 8de0 by Molmil
TEM-1 beta-lactamase covalently bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
7U6Q
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BU of 7u6q by Molmil
TEM-1 beta-lactamase
Descriptor: Beta-lactamase, SULFATE ION
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-03-04
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
6J69
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BU of 6j69 by Molmil
Structure of KIBRA and Dendrin Complex
Descriptor: Peptide from Dendrin, Protein KIBRA
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-01-14
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:Kibra Modulates Learning and Memory via Binding to Dendrin.
Cell Rep, 26, 2019
6OAA
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BU of 6oaa by Molmil
Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ...
Authors:Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
Deposit date:2019-03-15
Release date:2019-07-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6OA9
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BU of 6oa9 by Molmil
Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 48, ...
Authors:Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
Deposit date:2019-03-15
Release date:2019-07-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6OAB
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BU of 6oab by Molmil
Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ...
Authors:Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
Deposit date:2019-03-15
Release date:2019-07-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6J68
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BU of 6j68 by Molmil
Structure of KIBRA and LATS1 Complex
Descriptor: Peptide from Serine/threonine-protein kinase LATS1, Protein KIBRA
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-01-14
Release date:2019-09-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JJY
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BU of 6jjy by Molmil
Crystal Structure of KIBRA and beta-Dystroglycan
Descriptor: Peptide from Dystroglycan, Protein KIBRA, SULFATE ION
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JK1
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BU of 6jk1 by Molmil
Crystal Structure of YAP1 and Dendrin complex 2
Descriptor: Dendrin,Transcriptional coactivator YAP1
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JJW
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BU of 6jjw by Molmil
Crystal Structure of KIBRA and PTPN14 complex
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JJZ
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BU of 6jjz by Molmil
Crystal Structure of MAGI2 and Dendrin complex
Descriptor: ACETATE ION, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
Authors:Lin, Z, Zhang, H, Yang, Z, Ji, Z, Zhang, M, Zhu, J.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JJX
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BU of 6jjx by Molmil
Crystal Structure of KIBRA and Angiomotin complex
Descriptor: Peptide from Angiomotin, Protein KIBRA
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JK0
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BU of 6jk0 by Molmil
Crystal Structure of YAP1 and Dendrin complex
Descriptor: CALCIUM ION, Transcriptional coactivator YAP1,Dendrin
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
7LJE
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BU of 7lje by Molmil
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
Descriptor: 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300
Authors:Jakob, C.G.
Deposit date:2021-01-29
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.607 Å)
Cite:Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
Descriptor: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
Authors:Kong, L.L, Yun, C.H.
Deposit date:2015-08-29
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.468 Å)
Cite:Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
7RM6
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BU of 7rm6 by Molmil
Horse liver alcohol dehydrogenase in complex with NADH and N-cylcohexyl formamide
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
Authors:Zheng, C, Boxer, S.G.
Deposit date:2021-07-26
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site.
Nat.Chem., 14, 2022
5U8A
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BU of 5u8a by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U6D
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BU of 5u6d by Molmil
Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
Descriptor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U69
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BU of 5u69 by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5ZYS
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BU of 5zys by Molmil
Structure of Nephrin/MAGI1 complex
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Nephrin
Authors:Weng, Z.F, Shng, Y, Zhu, J.W, Zhang, R.G.
Deposit date:2018-05-28
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling.
J. Am. Soc. Nephrol., 29, 2018
5U8F
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BU of 5u8f by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
6CDD
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BU of 6cdd by Molmil
Npl4 zinc finger and MPN domains (Chaetomium thermophilum)
Descriptor: Npl4 zinc finger, ZINC ION
Authors:Bodnar, N.O, Rapoport, T.A.
Deposit date:2018-02-08
Release date:2018-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58233714 Å)
Cite:Structure of the Cdc48 ATPase with its ubiquitin-binding cofactor Ufd1-Npl4.
Nat. Struct. Mol. Biol., 25, 2018

 

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