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6V3N
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BU of 6v3n by Molmil
Crystal structure of CDYL2 in complex with H3K27me3
分子名称: ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-11-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-08-05
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
6IN8
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BU of 6in8 by Molmil
Crystal structure of MucB
分子名称: Sigma factor AlgU regulatory protein MucB
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6V41
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BU of 6v41 by Molmil
crystal structure of CDY1 chromodomain bound to H3K9me3
分子名称: Histone H3.1 Peptide, Testis-specific chromodomain protein Y 1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-11-27
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
6V8W
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BU of 6v8w by Molmil
CDYL2 chromodomain in complex with a synthetic peptide
分子名称: Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-12-12
公開日2020-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6IH0
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BU of 6ih0 by Molmil
Aquifex aeolicus LpxC complex with ACHN-975
分子名称: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, ...
著者Li, D.Y, Fan, S, Jin, Y.Y, Zhang, C, Lv, G.X, Wu, G.T, Yang, Z.Y.
登録日2018-09-27
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献The Complex Structure of Protein AaLpxC from Aquifex aeolicus with ACHN-975 Molecule Suggests an Inhibitory Mechanism at Atomic-Level against Gram-Negative Bacteria
Molecules, 26, 2021
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
3H42
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BU of 3h42 by Molmil
Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody
分子名称: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E.
登録日2009-04-17
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (6.85 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC1
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BU of 8zc1 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
分子名称: Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
分子名称: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
著者Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
登録日2023-03-31
公開日2023-11-15
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
8GU4
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BU of 8gu4 by Molmil
Poly(ethylene terephthalate) hydrolase (IsPETase)-linker
分子名称: Poly(ethylene terephthalate) hydrolase
著者Xiao, Y.J, Wang, Z.F.
登録日2022-09-09
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
8GU5
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Wild type poly(ethylene terephthalate) hydrolase
分子名称: Poly(ethylene terephthalate) hydrolase
著者Xiao, Y.J, Wang, Z.F.
登録日2022-09-09
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
7LMM
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BU of 7lmm by Molmil
Crystal structure of bovine DNMT1 BAH1 domain in complex with H4K20me2
分子名称: DNA (cytosine-5)-methyltransferase 1,DNA (cytosine-5)-methyltransferase 1, Histone H4, ZINC ION
著者Ren, W, Song, J.
登録日2021-02-05
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献DNMT1 reads heterochromatic H4K20me3 to reinforce LINE-1 DNA methylation.
Nat Commun, 12, 2021
7LMK
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BU of 7lmk by Molmil
Crystal structure of bovine DNMT1 BAH1 domain in complex with H4K20me3
分子名称: DNA (cytosine-5)-methyltransferase 1, Histone H4, ZINC ION
著者Ren, W, Song, J.
登録日2021-02-05
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.647 Å)
主引用文献DNMT1 reads heterochromatic H4K20me3 to reinforce LINE-1 DNA methylation.
Nat Commun, 12, 2021
7LFY
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BU of 7lfy by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFT
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BU of 7lft by Molmil
Cryo-EM structure of human Apo CNGA1 channel in K+/Ca2+
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, POTASSIUM ION, ...
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-18
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFX
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BU of 7lfx by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFW
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BU of 7lfw by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in K+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-18
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LG1
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BU of 7lg1 by Molmil
Cryo-EM structure of human cGMP-bound CNGA1_E365Q channel in Na+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
8IYX
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Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WWI
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Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution
分子名称: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
著者Deis, L.N, Oas, T.G.
登録日2014-11-11
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016

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