6CTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ctx by Molmil](/molmil-images/mine/6ctx) | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dCTP analogue | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2018-03-23 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs. Biochemistry, 57, 2018
|
|
6CTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ctv by Molmil](/molmil-images/mine/6ctv) | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dCTP analogue | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2018-03-23 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs. Biochemistry, 57, 2018
|
|
6PH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ph6 by Molmil](/molmil-images/mine/6ph6) | |
5TZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tzl by Molmil](/molmil-images/mine/5tzl) | Structure of transthyretin in complex with the kinetic stabilizer 201 | Descriptor: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | Authors: | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | Deposit date: | 2016-11-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
6X3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x3l by Molmil](/molmil-images/mine/6x3l) | Sortilin-Progranulin Interaction With Compound 2 | Descriptor: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Parthasarathy, G, Soisson, S.M. | Deposit date: | 2020-05-21 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg.Med.Chem.Lett., 30, 2020
|
|
6X48
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x48 by Molmil](/molmil-images/mine/6x48) | Sortilin-Progranulin Interaction With Compound 17 | Descriptor: | GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ... | Authors: | Parthasarathy, G, Soisson, S.M. | Deposit date: | 2020-05-22 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg.Med.Chem.Lett., 30, 2020
|
|
8AX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ax5 by Molmil](/molmil-images/mine/8ax5) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 | Descriptor: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
|
|
8AX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ax6 by Molmil](/molmil-images/mine/8ax6) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 | Descriptor: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
|
|
8AX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ax7 by Molmil](/molmil-images/mine/8ax7) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 | Descriptor: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
|
|
4RT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rt2 by Molmil](/molmil-images/mine/4rt2) | Ternary complex crystal structure of DNA polymerase Beta with (alpha,beta)-CH2-(beta,gamma)-NH-dTTP | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2014-11-12 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP. Org.Lett., 17, 2015
|
|
6X4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x4h by Molmil](/molmil-images/mine/6x4h) | Sortilin-Progranulin Interaction With Compound 24 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ... | Authors: | Parthasarathy, G, Soisson, S.M, Klein, D. | Deposit date: | 2020-05-22 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg.Med.Chem.Lett., 30, 2020
|
|
6XR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xr8 by Molmil](/molmil-images/mine/6xr8) | Distinct conformational states of SARS-CoV-2 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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: | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Volloch, S.R, Chen, B. | Deposit date: | 2020-07-11 | Release date: | 2020-07-22 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Distinct conformational states of SARS-CoV-2 spike protein. Science, 369, 2020
|
|
6XRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xra by Molmil](/molmil-images/mine/6xra) | Distinct conformational states of SARS-CoV-2 spike protein | 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, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Rits-Volloch, S, Chen, B. | Deposit date: | 2020-07-11 | Release date: | 2020-07-22 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Distinct conformational states of SARS-CoV-2 spike protein. Science, 369, 2020
|
|
6V05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v05 by Molmil](/molmil-images/mine/6v05) | Cryo-EM structure of a substrate-engaged Bam complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Tomasek, D, Rawson, S, Lee, J, Wzorek, J.S, Harrison, S.C, Li, Z, Kahne, D. | Deposit date: | 2019-11-18 | Release date: | 2020-06-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of a nascent membrane protein as it folds on the BAM complex. Nature, 583, 2020
|
|
6Y6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y6k by Molmil](/molmil-images/mine/6y6k) | Cryo-EM structure of a Phenuiviridae L protein | Descriptor: | MAGNESIUM ION, RNA-dependent RNA polymerase | Authors: | Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M. | Deposit date: | 2020-02-26 | Release date: | 2020-04-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein. Nucleic Acids Res., 48, 2020
|
|
3S40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s40 by Molmil](/molmil-images/mine/3s40) | The crystal structure of a diacylglycerol kinases from Bacillus anthracis str. Sterne | Descriptor: | diacylglycerol kinase | Authors: | Tan, K, Zhang, R, Xu, X, Cui, H, Peterson, S, Savchenko, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-05-18 | Release date: | 2011-06-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of a diacylglycerol kinases from Bacillus anthracis str. Sterne To be Published
|
|
3UFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ufg by Molmil](/molmil-images/mine/3ufg) | The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Glycyl-tRNA synthetase alpha subunit, LEUCINE | Authors: | Tan, K, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-01 | Release date: | 2011-11-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.552 Å) | Cite: | The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC in complex with ATP To be Published
|
|
5NJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5njg by Molmil](/molmil-images/mine/5njg) | Structure of an ABC transporter: part of the structure that could be built de novo | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | Authors: | Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structure of the human multidrug transporter ABCG2. Nature, 546, 2017
|
|
1U21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u21 by Molmil](/molmil-images/mine/1u21) | transthyretin with tethered inhibitor on one monomer. | Descriptor: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin | Authors: | Wiseman, R.L, Johnson, S.M, Kelker, M.S, Foss, T, Wilson, I.A, Kelly, J.W. | Deposit date: | 2004-07-16 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Kinetic stabilization of an oligomeric protein by a single ligand binding event J.Am.Chem.Soc., 127, 2005
|
|
4RT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rt3 by Molmil](/molmil-images/mine/4rt3) | Ternary complex crystal structure of DNA polymerase Beta with (alpha, beta)-NH-(beta,gamma)-CH2-dTTP | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2014-11-12 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP. Org.Lett., 17, 2015
|
|
4TT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tt9 by Molmil](/molmil-images/mine/4tt9) | |
4RM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rm4 by Molmil](/molmil-images/mine/4rm4) | The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G. | Deposit date: | 2014-10-18 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis. Mol Biosyst, 11, 2015
|
|
8KCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kcz by Molmil](/molmil-images/mine/8kcz) | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione | Descriptor: | 3-ketosteroid dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | Deposit date: | 2023-08-08 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione To Be Published
|
|
6DIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dia by Molmil](/molmil-images/mine/6dia) | DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog | Descriptor: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | Deposit date: | 2018-05-23 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition. Nucleic Acids Res., 47, 2019
|
|
4KMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kmq by Molmil](/molmil-images/mine/4kmq) | 1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e | Descriptor: | Lmo2446 protein, MAGNESIUM ION | Authors: | Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-05-08 | Release date: | 2013-05-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis. Nat Microbiol, 2, 2016
|
|