4Q2Z
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![BU of 4q2z by Molmil](/molmil-images/mine/4q2z) | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE356, from a non-human primate | Descriptor: | Heavy chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, Light chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody | Authors: | Navis, M, Tran, K, Bale, S, Phad, G, Guenaga, J, Wilson, R, Soldemo, M, McKee, K, Sundling, C, Mascola, J, Li, Y, Wyatt, R.T, Hedestam, G.B.K. | Deposit date: | 2014-04-10 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | HIV-1 Receptor Binding Site-Directed Antibodies Using a VH1-2 Gene Segment Orthologue Are Activated by Env Trimer Immunization. Plos Pathog., 10, 2014
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4MYV
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![BU of 4myv by Molmil](/molmil-images/mine/4myv) | Free HSV-2 gD structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D | Authors: | Lu, G, Zhang, N, Qi, J, Li, Y, Chen, Z, Zheng, C, Yan, J, Gao, G.F. | Deposit date: | 2013-09-28 | Release date: | 2014-10-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Crystal structure of herpes simplex virus 2 gD bound to nectin-1 reveals a conserved mode of receptor recognition. J.Virol., 88, 2014
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4QPN
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![BU of 4qpn by Molmil](/molmil-images/mine/4qpn) | Crystal Structure of Human Methyltransferase-Like Protein 21B | Descriptor: | Protein-lysine methyltransferase METTL21B, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Tempel, W, Hong, B.S, Seitova, A, He, H, Li, Y, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structure of Human Methyltransferase-Like Protein 21B TO BE PUBLISHED
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5FRR
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![BU of 5frr by Molmil](/molmil-images/mine/5frr) | Structure of the Pds5-Scc1 complex and implications for cohesin function | Descriptor: | SISTER CHROMATID COHESION PROTEIN PDS5 | Authors: | Muir, K.W, Kschonsak, M, Li, Y, Metz, J, Haering, C.H, Panne, D. | Deposit date: | 2015-12-22 | Release date: | 2016-03-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (5.8 Å) | Cite: | Structure of the Pds5-Scc1 Complex and Implications for Cohesin Function Cell Rep., 14, 2016
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8SU7
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![BU of 8su7 by Molmil](/molmil-images/mine/8su7) | Crystal structure of Bacillus anthracis dihydroneopterin aldolase | Descriptor: | 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase | Authors: | Shaw, G.X, Li, Y, Yan, H, Ji, X. | Deposit date: | 2023-05-11 | Release date: | 2023-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Bacillus anthracis dihydroneopterin aldolase To be published
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8SV5
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![BU of 8sv5 by Molmil](/molmil-images/mine/8sv5) | Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydroneopterin aldolase | Authors: | Shaw, G.X, Li, Y, Yan, H, Ji, X. | Deposit date: | 2023-05-15 | Release date: | 2023-06-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin To be published
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8SZV
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![BU of 8szv by Molmil](/molmil-images/mine/8szv) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | Deposit date: | 2023-05-30 | Release date: | 2023-10-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31, 2023
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5H43
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![BU of 5h43 by Molmil](/molmil-images/mine/5h43) | |
5H4I
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![BU of 5h4i by Molmil](/molmil-images/mine/5h4i) | |
4DQM
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![BU of 4dqm by Molmil](/molmil-images/mine/4dqm) | Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | Descriptor: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | Authors: | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | Deposit date: | 2012-02-16 | Release date: | 2012-10-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells. Biochem.J., 446, 2012
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8TRE
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![BU of 8tre by Molmil](/molmil-images/mine/8tre) | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-08-09 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP To be published
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4FGY
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![BU of 4fgy by Molmil](/molmil-images/mine/4fgy) | Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity | Descriptor: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, R, Li, Y. | Deposit date: | 2012-06-05 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes. Diabetologia, 56, 2013
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8T42
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![BU of 8t42 by Molmil](/molmil-images/mine/8t42) | Model of TTLL6 MTBH1-2 bound to microtubule | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A. | Deposit date: | 2023-06-08 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation. Nat.Chem.Biol., 2024
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8U3Z
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![BU of 8u3z by Molmil](/molmil-images/mine/8u3z) | Model of TTLL6 bound to microtubule from composite map | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A. | Deposit date: | 2023-09-08 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation. Nat.Chem.Biol., 2024
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8VL7
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![BU of 8vl7 by Molmil](/molmil-images/mine/8vl7) | Co-crystal structure of human TREX1 in complex with an inhibitor | Descriptor: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
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8V1F
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![BU of 8v1f by Molmil](/molmil-images/mine/8v1f) | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol To Be Published
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8W3V
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![BU of 8w3v by Molmil](/molmil-images/mine/8w3v) | Crystal structure of human WDR41 | Descriptor: | WD repeat-containing protein 41 | Authors: | Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-02-22 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human WDR41 To be published
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8TBX
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![BU of 8tbx by Molmil](/molmil-images/mine/8tbx) | Crystal structure of human DDX1 helicase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ... | Authors: | Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2023-06-29 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal structure of human DDX1 helicase in complex with ADP To be published
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8V04
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![BU of 8v04 by Molmil](/molmil-images/mine/8v04) | High resolution TMPRSS2 structure following acylation by nafamostat | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, ... | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Levon, H, Arrowsmith, C. | Deposit date: | 2023-11-16 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | High resolution TMPRSS2 structure following acylation by nafamostat To Be Published
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7UFV
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![BU of 7ufv by Molmil](/molmil-images/mine/7ufv) | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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4H5S
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![BU of 4h5s by Molmil](/molmil-images/mine/4h5s) | Complex structure of Necl-2 and CRTAM | Descriptor: | Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule | Authors: | Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F. | Deposit date: | 2012-09-18 | Release date: | 2013-08-07 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2. Structure, 21, 2013
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5GJ4
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![BU of 5gj4 by Molmil](/molmil-images/mine/5gj4) | |
5FRS
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![BU of 5frs by Molmil](/molmil-images/mine/5frs) | Structure of the Pds5-Scc1 complex and implications for cohesin function | Descriptor: | SISTER CHROMATID COHESION PROTEIN 1, SISTER CHROMATID COHESION PROTEIN PDS5 | Authors: | Muir, K.W, Kschonsak, M, Li, Y, Metz, J, Haering, C.H, Panne, D. | Deposit date: | 2015-12-22 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.073 Å) | Cite: | Structure of the Pds5-Scc1 Complex and Implications for Cohesin Function Cell Rep., 14, 2016
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5FRP
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![BU of 5frp by Molmil](/molmil-images/mine/5frp) | Structure of the Pds5-Scc1 complex and implications for cohesin function | Descriptor: | MCD1-LIKE PROTEIN, SISTER CHROMATID COHESION PROTEIN PDS5 | Authors: | Muir, K.W, Kschonsak, M, Li, Y, Metz, J, Haering, C.H, Panne, D. | Deposit date: | 2015-12-21 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.895 Å) | Cite: | Structure of the Pds5-Scc1 Complex and Implications for Cohesin Function Cell Rep., 14, 2016
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4HJJ
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![BU of 4hjj by Molmil](/molmil-images/mine/4hjj) | Structure Reveals Function of the Dual Variable Domain Immunoglobulin (DVD-Ig) Molecule | Descriptor: | Anti-IL12 Anti-IL18 DFab Heavy Chain, Anti-IL12 Anti-IL18 DFab Light Chain, CHLORIDE ION, ... | Authors: | Jakob, C.G, Edalji, R, Judge, R.A, DiGiammarino, E, Li, Y, Gu, J, Ghayur, T. | Deposit date: | 2012-10-12 | Release date: | 2013-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure reveals function of the dual variable domain immunoglobulin (DVD-Ig[TM]) molecule MAbs, 5, 2013
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