7N41
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![BU of 7n41 by Molmil](/molmil-images/mine/7n41) | Crystal structure of TagA with UDP-ManNAc | Descriptor: | (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase | Authors: | Martinez, O.E, Cascio, D, Clubb, R.T. | Deposit date: | 2021-06-03 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
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3ILL
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![BU of 3ill by Molmil](/molmil-images/mine/3ill) | Crystal structure of E. coli HPPK(D97A) | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-08-07 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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3ILI
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![BU of 3ili by Molmil](/molmil-images/mine/3ili) | Crystal structure of E. coli HPPK(D95A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-08-07 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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7N91
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![BU of 7n91 by Molmil](/molmil-images/mine/7n91) | P70 S6K1 IN COMPLEX WITH MSC2317067A-1 | Descriptor: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | Authors: | Mochalkin, I. | Deposit date: | 2021-06-16 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
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7N93
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![BU of 7n93 by Molmil](/molmil-images/mine/7n93) | P70 S6K1 IN COMPLEX WITH MSC2363318A-1 | Descriptor: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | Authors: | Mochalkin, I. | Deposit date: | 2021-06-16 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J.Med.Chem., 64, 2021
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3HCX
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![BU of 3hcx by Molmil](/molmil-images/mine/3hcx) | Crystal structure of E. coli HPPK(N10A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-05-06 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Role of loop coupling in enzymatic catalysis and conformational dynamics To be Published
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7LEZ
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![BU of 7lez by Molmil](/molmil-images/mine/7lez) | Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:2 mAb1 complex | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb1 heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (4.15 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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7LEY
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![BU of 7ley by Molmil](/molmil-images/mine/7ley) | Trimeric human Arginase 1 in complex with mAb5 | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb5 heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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7LEX
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![BU of 7lex by Molmil](/molmil-images/mine/7lex) | |
7LF2
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![BU of 7lf2 by Molmil](/molmil-images/mine/7lf2) | Trimeric human Arginase 1 in complex with mAb4 | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb4 monoclonal antibody heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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7LF0
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![BU of 7lf0 by Molmil](/molmil-images/mine/7lf0) | |
7LF1
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![BU of 7lf1 by Molmil](/molmil-images/mine/7lf1) | Trimeric human Arginase 1 in complex with mAb3 | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb3 heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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3HSZ
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![BU of 3hsz by Molmil](/molmil-images/mine/3hsz) | Crystal structure of E. coli HPPK(F123A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-06-11 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK To be Published
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3HSJ
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![BU of 3hsj by Molmil](/molmil-images/mine/3hsj) | Crystal structure of E. coli HPPK(N55A) | Descriptor: | ACETATE ION, GLYCEROL, HPPK | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-06-10 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK To be Published
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7Y4T
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![BU of 7y4t by Molmil](/molmil-images/mine/7y4t) | Crystal structure of cMET kinase domain bound by compound 9I | Descriptor: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7Y4U
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![BU of 7y4u by Molmil](/molmil-images/mine/7y4u) | Crystal structure of cMET kinase domain bound by compound 9Y | Descriptor: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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8HZM
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![BU of 8hzm by Molmil](/molmil-images/mine/8hzm) | A new fluorescent RNA aptamer bound with N, manganese soak | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZE
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![BU of 8hze by Molmil](/molmil-images/mine/8hze) | A new fluorescent RNA aptamer bound with N | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZD
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![BU of 8hzd by Molmil](/molmil-images/mine/8hzd) | A new fluorescent RNA aptamer bound with N618 | Descriptor: | 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, RNA (36-MER) | Authors: | Song, Q.Q, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZJ
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![BU of 8hzj by Molmil](/molmil-images/mine/8hzj) | A new fluorescent RNA aptamer bound with N571 | Descriptor: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZK
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![BU of 8hzk by Molmil](/molmil-images/mine/8hzk) | A new fluorescent RNA aptamer bound with N, iridium hexammine soak | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, DI(HYDROXYETHYL)ETHER, IRIDIUM HEXAMMINE ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZF
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![BU of 8hzf by Molmil](/molmil-images/mine/8hzf) | A new fluorescent RNA aptamer bound with N565 | Descriptor: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZL
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![BU of 8hzl by Molmil](/molmil-images/mine/8hzl) | A new fluorescent RNA aptamer_III bound with N | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, MAGNESIUM ION, RNA (84-MER) | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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5YY6
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![BU of 5yy6 by Molmil](/molmil-images/mine/5yy6) | Crystal structure of Arabidopsis thaliana HPPD truncated mutant complexed with Benquitrione | Descriptor: | 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, W.C, Chen, J.N, Yang, G.F. | Deposit date: | 2017-12-08 | Release date: | 2019-01-16 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery. Research (Wash D C), 2019, 2019
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7CR5
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![BU of 7cr5 by Molmil](/molmil-images/mine/7cr5) | |