5ZHE
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![BU of 5zhe by Molmil](/molmil-images/mine/5zhe) | STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981 | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2018-03-13 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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6EJG
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![BU of 6ejg by Molmil](/molmil-images/mine/6ejg) | |
5XOV
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![BU of 5xov by Molmil](/molmil-images/mine/5xov) | Crystal structure of peptide-HLA-A24 bound to S19-2 V-delta/V-beta TCR | Descriptor: | Beta-2-microglobulin, HIV-1 Nef138-10 peptide, HLA class I histocompatibility antigen, ... | Authors: | Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2017-05-31 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.684 Å) | Cite: | Conserved V delta 1 Binding Geometry in a Setting of Locus-Disparate pHLA Recognition by delta / alpha beta T Cell Receptors (TCRs): Insight into Recognition of HIV Peptides by TCRs. J. Virol., 91, 2017
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6YF1
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![BU of 6yf1 by Molmil](/molmil-images/mine/6yf1) | FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | Descriptor: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF2
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![BU of 6yf2 by Molmil](/molmil-images/mine/6yf2) | FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF0
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![BU of 6yf0 by Molmil](/molmil-images/mine/6yf0) | FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution | Descriptor: | 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF3
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![BU of 6yf3 by Molmil](/molmil-images/mine/6yf3) | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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5XRG
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![BU of 5xrg by Molmil](/molmil-images/mine/5xrg) | Galectin-10/Charcot-Leyden crystal protein crystal structure | Descriptor: | GLYCEROL, Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-06-08 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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5XRK
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![BU of 5xrk by Molmil](/molmil-images/mine/5xrk) | |
5XRP
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![BU of 5xrp by Molmil](/molmil-images/mine/5xrp) | Galectin-10/Charcot-Leyden crystal protein variant Q75A | Descriptor: | GLYCEROL, Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-06-08 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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5XG8
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![BU of 5xg8 by Molmil](/molmil-images/mine/5xg8) | Galectin-13/Placental Protein 13 variant R53H crystal structure | Descriptor: | GLYCEROL, Galactoside-binding soluble lectin 13 | Authors: | Wang, Y, Su, J.Y. | Deposit date: | 2017-04-12 | Release date: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138 Sci Rep, 8, 2018
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4FIH
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![BU of 4fih by Molmil](/molmil-images/mine/4fih) | |
4FIJ
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![BU of 4fij by Molmil](/molmil-images/mine/4fij) | Catalytic domain of human PAK4 | Descriptor: | Serine/threonine-protein kinase PAK 4 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2012-06-08 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate. Proc.Natl.Acad.Sci.USA, 109, 2012
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4FIE
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![BU of 4fie by Molmil](/molmil-images/mine/4fie) | Full-length human PAK4 | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2012-06-08 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate. Proc.Natl.Acad.Sci.USA, 109, 2012
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4FIG
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![BU of 4fig by Molmil](/molmil-images/mine/4fig) | Catalytic domain of human PAK4 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2012-06-08 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate. Proc.Natl.Acad.Sci.USA, 109, 2012
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6EJM
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![BU of 6ejm by Molmil](/molmil-images/mine/6ejm) | |
6EK2
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![BU of 6ek2 by Molmil](/molmil-images/mine/6ek2) | |
8XKN
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![BU of 8xkn by Molmil](/molmil-images/mine/8xkn) | Cryo-EM structure of tail tube protein | Descriptor: | a protein | Authors: | Zhang, H, Li, Z, Li, X.Z. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins. Nat Commun, 15, 2024
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8WKN
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![BU of 8wkn by Molmil](/molmil-images/mine/8wkn) | Cryo-EM structure of DSR2-DSAD1 | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | Authors: | Zhang, H, Li, Z, Li, X.Z. | Deposit date: | 2023-09-28 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins. Nat Commun, 15, 2024
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8W56
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![BU of 8w56 by Molmil](/molmil-images/mine/8w56) | Cryo-EM structure of DSR2-DSAD1 state 1 | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | Authors: | Zhang, H, Li, Z, Li, X.Z. | Deposit date: | 2023-08-25 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Insights into the modulation of bacterial NADase activity by phage proteins. Nat Commun, 15, 2024
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6M11
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![BU of 6m11 by Molmil](/molmil-images/mine/6m11) | Crystal structure of Rnase L in complex with Sunitinib | Descriptor: | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHATE ION, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2020-02-24 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Sunitinib inhibits RNase L by destabilizing its active dimer conformation. Biochem.J., 477, 2020
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6M08
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![BU of 6m08 by Molmil](/molmil-images/mine/6m08) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | Descriptor: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | Authors: | Hu, H.C, Xu, Y.C. | Deposit date: | 2020-02-20 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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5XOT
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![BU of 5xot by Molmil](/molmil-images/mine/5xot) | Crystal structure of pHLA-B35 in complex with TU55 T cell receptor | Descriptor: | An HIV reverse transcriptase epitope, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2017-05-31 | Release date: | 2017-06-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.787 Å) | Cite: | Conserved V delta 1 Binding Geometry in a Setting of Locus-Disparate pHLA Recognition by delta / alpha beta T Cell Receptors (TCRs): Insight into Recognition of HIV Peptides by TCRs. J. Virol., 91, 2017
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5XOS
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![BU of 5xos by Molmil](/molmil-images/mine/5xos) | Crystal structure of HLA-B35 in complex with a pepetide antigen | Descriptor: | An HIV reverse transcriptase epitope, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2017-05-31 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Conserved V delta 1 Binding Geometry in a Setting of Locus-Disparate pHLA Recognition by delta / alpha beta T Cell Receptors (TCRs): Insight into Recognition of HIV Peptides by TCRs. J. Virol., 91, 2017
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5AG9
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![BU of 5ag9 by Molmil](/molmil-images/mine/5ag9) | CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB | Descriptor: | Gingipain R2, SULFATE ION | Authors: | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | Deposit date: | 2015-01-29 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain. Sci Rep, 6, 2016
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