2I2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i2j by Molmil](/molmil-images/mine/2i2j) | NMR structure of UA159sp in TFE | Descriptor: | Competence stimulating peptide | Authors: | Syvitski, R.T, Jakeman, D.L, Li, Y. | Deposit date: | 2006-08-16 | Release date: | 2006-10-17 | Last modified: | 2020-03-04 | Method: | SOLUTION NMR | Cite: | Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans. J.Bacteriol., 189, 2007
|
|
2OQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oq3 by Molmil](/molmil-images/mine/2oq3) | |
2OZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ozx by Molmil](/molmil-images/mine/2ozx) | |
4ER6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4er6 by Molmil](/molmil-images/mine/4er6) | Crystal structure of human DOT1L in complex with inhibitor SGC0946 | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
|
|
2NM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nm2 by Molmil](/molmil-images/mine/2nm2) | |
2NM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nm3 by Molmil](/molmil-images/mine/2nm3) | Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2S)-monapterin at 1.68 angstrom resolution | Descriptor: | ACETATE ION, D-MONAPTERIN, Dihydroneopterin aldolase | Authors: | Blaszczyk, J, Ji, X, Yan, H. | Deposit date: | 2006-10-20 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase. J.Mol.Biol., 368, 2007
|
|
8WUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wuy by Molmil](/molmil-images/mine/8wuy) | Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | Descriptor: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | Authors: | Hong, W.B, Chen, X.Q, Lin, T.W. | Deposit date: | 2023-10-21 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene. Bioorg.Chem., 144, 2024
|
|
8U31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u31 by Molmil](/molmil-images/mine/8u31) | Crystal structure of PD-1 in complex with a Fab | Descriptor: | Fab heavy chain, Fab light chain, GLYCEROL, ... | Authors: | Sun, D, Masureel, M. | Deposit date: | 2023-09-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability. Mabs, 16, 2024
|
|
8U32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u32 by Molmil](/molmil-images/mine/8u32) | Crystal structure of PD-1 in complex with a Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Sun, D, Masureel, M. | Deposit date: | 2023-09-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability. Mabs, 16, 2024
|
|
7E7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e7l by Molmil](/molmil-images/mine/7e7l) | The crystal structure of arylacetate decarboxylase from Olsenella scatoligenes. | Descriptor: | 4-HYDROXYPHENYLACETATE, Hydroxyphenylacetic acid decarboxylase | Authors: | Lu, Q, Duan, Y, Zhang, Y, Yuchi, Z. | Deposit date: | 2021-02-26 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | The Glycyl Radical Enzyme Arylacetate Decarboxylase from Olsenella scatoligenes Acs Catalysis, 11, 2021
|
|
4PZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pzi by Molmil](/molmil-images/mine/4pzi) | Zinc finger region of MLL2 in complex with CpG DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ... | Authors: | Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-03-31 | Release date: | 2014-06-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
|
|
8D8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d8q by Molmil](/molmil-images/mine/8d8q) | SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ... | Authors: | Du, J, Cui, J, Pallesen, J. | Deposit date: | 2022-06-08 | Release date: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2. Nat Commun, 13, 2022
|
|
5Y4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y4o by Molmil](/molmil-images/mine/5y4o) | Cryo-EM structure of MscS channel, YnaI | Descriptor: | Low conductance mechanosensitive channel YnaI | Authors: | Zhang, Y, Yu, J. | Deposit date: | 2017-08-04 | Release date: | 2019-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A binding-block ion selective mechanism revealed by a Na/K selective channel. Protein Cell, 9, 2018
|
|
7XOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xoe by Molmil](/molmil-images/mine/7xoe) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
|
|
7XOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xog by Molmil](/molmil-images/mine/7xog) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ... | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
|
|
8E3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e3n by Molmil](/molmil-images/mine/8e3n) | Crystal structure of pregnane X receptor ligand binding domain complexed with rifamycin S | Descriptor: | Nuclear receptor subfamily 1 group I member 2, Rifamycin S | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Chen, T. | Deposit date: | 2022-08-17 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7CLV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7clv by Molmil](/molmil-images/mine/7clv) | Solution structure of mitochondrial Tim23 channel in complex with a signaling peptide | Descriptor: | COX4 isoform 1, TIM23 isoform 1 | Authors: | Zhou, S, Ruan, M.S, Li, Y.Y, Yang, J, Richter, C, Schwalbe, H, Shen, B, Wang, J.F. | Deposit date: | 2020-07-22 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide. Cell Res., 31, 2021
|
|
7CMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cmh by Molmil](/molmil-images/mine/7cmh) | The LAT2-4F2hc complex in complex with tryptophan | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | Authors: | Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2020-07-27 | Release date: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex. Cell Discov, 6, 2020
|
|
7CMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cmi by Molmil](/molmil-images/mine/7cmi) | The LAT2-4F2hc complex in complex with leucine | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | Authors: | Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2020-07-27 | Release date: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex. Cell Discov, 6, 2020
|
|
1XCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xca by Molmil](/molmil-images/mine/1xca) | APO-CELLULAR RETINOIC ACID BINDING PROTEIN II | Descriptor: | CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II | Authors: | Chen, X, Ji, X. | Deposit date: | 1996-12-31 | Release date: | 1998-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry. J.Mol.Biol., 278, 1998
|
|
4RNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rng by Molmil](/molmil-images/mine/4rng) | Crystal structure of a bacterial homologue of SWEET transporters | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MtN3/saliva family, SULFATE ION | Authors: | Hu, Q, Wang, J, Yan, C, Yan, N. | Deposit date: | 2014-10-24 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a bacterial homologue of SWEET transporters. Cell Res., 24, 2014
|
|
1XPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xpc by Molmil](/molmil-images/mine/1xpc) | |
1XP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xp1 by Molmil](/molmil-images/mine/1xp1) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 | Descriptor: | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2004-10-07 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
|
|
1XP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xp9 by Molmil](/molmil-images/mine/1xp9) | |
1XP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xp6 by Molmil](/molmil-images/mine/1xp6) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16 | Descriptor: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2004-10-08 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
|
|