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8DLR
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BU of 8dlr by Molmil
Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with Fab 4-8 (focused refinement of NTD and 4-8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 4-8 heavy chain, Fab 4-8 light chain, ...
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLP
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BU of 8dlp by Molmil
Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
7R86
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BU of 7r86 by Molmil
Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R85
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BU of 7r85 by Molmil
Structure of mouse Bai1 (ADGRB1) TSR3 domain
Descriptor: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R84
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BU of 7r84 by Molmil
Structure of mouse BAI1 (ADGRB1) TSR3 domain in P21 space group
Descriptor: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7T1L
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BU of 7t1l by Molmil
Crystal structure of a superbinder Fes SH2 domain (sFesS) in complex with a high affinity phosphopeptide
Descriptor: CHLORIDE ION, SODIUM ION, Synthetic phosphotyrosine-containing Ezrin-derived peptide, ...
Authors:Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7T1U
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BU of 7t1u by Molmil
Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide
Descriptor: Proto-oncogene tyrosine-protein kinase Src, Synthetic phosphopeptide, ZINC ION
Authors:Martyn, G.D, Singer, A.U, Manczyk, N, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7T1K
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BU of 7t1k by Molmil
Crystal structure of a superbinder Fes SH2 domain (sFes1) in complex with a high affinity phosphopeptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MALONATE ION, ...
Authors:Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7F3P
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BU of 7f3p by Molmil
Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent isopropanol dehydrogenase, ZINC ION
Authors:Han, X, Bi, Y, Wei, H.L, Gao, J, Li, Q, Qu, G, Sun, Z.T, Liu, W.D.
Deposit date:2021-06-16
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Angew.Chem.Int.Ed.Engl., 61, 2022
5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
Authors:Song, H, Ying, T, Ji, X.
Deposit date:2017-03-26
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
5E2O
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BU of 5e2o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7XCT
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BU of 7xct by Molmil
Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 2:1 complex
Descriptor: DNA (145-MER), Histone H2A, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-25
Release date:2022-04-20
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
7XD1
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BU of 7xd1 by Molmil
cryo-EM structure of unmodified nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-26
Release date:2022-04-20
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
7XCR
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BU of 7xcr by Molmil
Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 1:1 complex
Descriptor: DNA (146-MER), Histone H2A, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-25
Release date:2022-04-20
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
7XD0
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BU of 7xd0 by Molmil
cryo-EM structure of H2BK34ub nucleosome
Descriptor: DNA (146-MER), Histone H2A, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-26
Release date:2022-04-20
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
5FT2
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BU of 5ft2 by Molmil
Sub-tomogram averaging of Lassa virus glycoprotein spike from virus- like particles at pH 5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PRE-GLYCOPROTEIN POLYPROTEIN GP COMPLEX
Authors:Li, S, Zhaoyang, S, Pryce, R, Parsy, M.L, Fehling, S.K, Schlie, K, Siebert, C.A, Garten, W, Bowden, T.A, Strecker, T, Huiskonen, J.T.
Deposit date:2016-01-09
Release date:2016-03-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (16.4 Å)
Cite:Acidic Ph-Induced Conformations and Lamp1 Binding of the Lassa Virus Glycoprotein Spike.
Plos Pathog., 12, 2016
5EXN
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BU of 5exn by Molmil
FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Authors:Sheriff, S.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXL
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BU of 5exl by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
Descriptor: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXM
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BU of 5exm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4WXI
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BU of 4wxi by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
Descriptor: 1,2-ETHANEDIOL, COAGULATION FACTOR XI, LIGHT CHAIN, ...
Authors:Wei, A.
Deposit date:2014-11-13
Release date:2015-01-28
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4X6P
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BU of 4x6p by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Descriptor: (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
Authors:Sheriff, S.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015

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