5U5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u5k by Molmil](/molmil-images/mine/5u5k) | |
1R0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r0w by Molmil](/molmil-images/mine/1r0w) | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo | Descriptor: | ACETIC ACID, Cystic fibrosis transmembrane conductance regulator | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | Deposit date: | 2003-09-23 | Release date: | 2003-12-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator. Embo J., 23, 2004
|
|
6Q9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9n by Molmil](/molmil-images/mine/6q9n) | Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone | Descriptor: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ... | Authors: | Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2018-12-18 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus. Antimicrob.Agents Chemother., 63, 2019
|
|
7O4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o4a by Molmil](/molmil-images/mine/7o4a) | |
7O49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o49 by Molmil](/molmil-images/mine/7o49) | |
7O4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o4c by Molmil](/molmil-images/mine/7o4c) | |
6Q3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q3x by Molmil](/molmil-images/mine/6q3x) | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
|
|
5U5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u5t by Molmil](/molmil-images/mine/5u5t) | Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide | Descriptor: | (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-07 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
|
|
4ZQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zqn by Molmil](/molmil-images/mine/4zqn) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor P41 | Descriptor: | 2-chloro-N,N-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
|
|
7O4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o4b by Molmil](/molmil-images/mine/7o4b) | |
7WOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wog by Molmil](/molmil-images/mine/7wog) | SARS-CoV-2 Omicron S monomer complexed with 553-49 | Descriptor: | 553-49 VH, 553-49 VL, Spike protein S1 | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-21 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (4.06 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
7WOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wob by Molmil](/molmil-images/mine/7wob) | SARS-CoV-2 Spike in complex with IgG 553-60 (2-up trimer) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb60 VH, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-21 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
7WO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wo4 by Molmil](/molmil-images/mine/7wo4) | SARS-CoV-2 Spike in complex with IgG 553-15 (S-553-15 dimer trimer ) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb15 VH, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-20 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
7WO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wo7 by Molmil](/molmil-images/mine/7wo7) | Locally refined region of SARS-CoV-2 Spike in complex with IgG 553-15 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, mAb15 VH, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-20 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
7WO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wo5 by Molmil](/molmil-images/mine/7wo5) | SARS-CoV-2 Spike in complex with IgG 553-15 (S-553-15 trimer) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb15 VH, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-20 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
7WOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7woc by Molmil](/molmil-images/mine/7woc) | Locally refined region of SARS-CoV-2 Spike in complex with IgG 553-60 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, mAb60 VH, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-21 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
7WOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7woa by Molmil](/molmil-images/mine/7woa) | SARS-CoV-2 Spike in complex with IgG 553-60 (1-up trimer) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, mAb60 VH, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-21 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
6ZGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgz by Molmil](/molmil-images/mine/6zgz) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
|
|
4ZQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zqm by Molmil](/molmil-images/mine/4zqm) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with XMP and NAD | Descriptor: | Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
|
|
4ZQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zqp by Molmil](/molmil-images/mine/4zqp) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1 | Descriptor: | 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine, GLYCEROL, INOSINIC ACID, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
|
|
7WZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wz2 by Molmil](/molmil-images/mine/7wz2) | SARS-CoV-2 (D614G) Spike trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-02-16 | Release date: | 2022-07-20 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
7WZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wz1 by Molmil](/molmil-images/mine/7wz1) | SARS-CoV-2 Omicron Spike trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-02-16 | Release date: | 2022-07-27 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer. J.Virol., 96, 2022
|
|
4ZQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zqr by Molmil](/molmil-images/mine/4zqr) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-11 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
|
|
6ZGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgy by Molmil](/molmil-images/mine/6zgy) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
|
|
6ZGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgx by Molmil](/molmil-images/mine/6zgx) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
|
|