5KTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ktr by Molmil](/molmil-images/mine/5ktr) | Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound maleate and Fe4S4 cluster | Descriptor: | AMMONIUM ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Fenwick, M.K, Ealick, S.E. | Deposit date: | 2016-07-12 | Release date: | 2016-07-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate. Biochemistry, 55, 2016
|
|
5KP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kp9 by Molmil](/molmil-images/mine/5kp9) | Structure of Nanoparticle Released from Enveloped Protein Nanoparticle | Descriptor: | EPN-01* | Authors: | Votteler, J, Ogohara, C, Yi, S, Hsia, Y, Natterman, U, Belnap, D.M, King, N.P, Sundquist, W.I. | Deposit date: | 2016-07-02 | Release date: | 2016-12-07 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Designed proteins induce the formation of nanocage-containing extracellular vesicles. Nature, 540, 2016
|
|
5KWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kwi by Molmil](/molmil-images/mine/5kwi) | M.tb Ag85C modified at C209 by adamantyl-ebselen | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2016-07-18 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives. ACS Infect Dis, 3, 2017
|
|
5KTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kta by Molmil](/molmil-images/mine/5kta) | Apo FdhC- a nucleotide-linked sugar GNAT | Descriptor: | DIMETHYL SULFOXIDE, FdhC, SULFATE ION | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2016-07-11 | Release date: | 2016-07-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily. Biochemistry, 55, 2016
|
|
5KTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ktp by Molmil](/molmil-images/mine/5ktp) | Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound itaconate and Fe4S4 cluster | Descriptor: | 2-methylidenebutanedioic acid, AMMONIUM ION, CHLORIDE ION, ... | Authors: | Fenwick, M.K, Ealick, S.E. | Deposit date: | 2016-07-12 | Release date: | 2016-07-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.542 Å) | Cite: | Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate. Biochemistry, 55, 2016
|
|
5KTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ktt by Molmil](/molmil-images/mine/5ktt) | |
6R04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r04 by Molmil](/molmil-images/mine/6r04) | T. cruzi FPPS | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
6R08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r08 by Molmil](/molmil-images/mine/6r08) | T. cruzi FPPS in complex with 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid | Descriptor: | 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
5KTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ktd by Molmil](/molmil-images/mine/5ktd) | FdhC with bound products: Coenzyme A and dTDP-3-amino-3,6-dideoxy-d-glucose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, FdhC, ... | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2016-07-11 | Release date: | 2016-07-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily. Biochemistry, 55, 2016
|
|
6QYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qyq by Molmil](/molmil-images/mine/6qyq) | Crystal structure of human thymidylate synthase (hTS) variant R175C | Descriptor: | CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | Authors: | Pozzi, C, Mangani, M. | Deposit date: | 2019-03-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors. Molecules, 24, 2019
|
|
6R06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r06 by Molmil](/molmil-images/mine/6r06) | T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol | Descriptor: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.559 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
6QXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qxh by Molmil](/molmil-images/mine/6qxh) | |
6QSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qsp by Molmil](/molmil-images/mine/6qsp) | Ketosynthase (ApeO) in Complex with its Chain Length Factor (ApeC) from Xenorhabdus doucetiae | Descriptor: | Beta-ketoacyl synthase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H. | Deposit date: | 2019-02-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments. J.Am.Chem.Soc., 141, 2019
|
|
6QXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qxg by Molmil](/molmil-images/mine/6qxg) | |
6QXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qxs by Molmil](/molmil-images/mine/6qxs) | Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | Authors: | Pozzi, C, Mangani, M. | Deposit date: | 2019-03-07 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities. Molecules, 24, 2019
|
|
6R0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r0b by Molmil](/molmil-images/mine/6r0b) | T. cruzi FPPS in complex with 3-((4-(5-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | Descriptor: | 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
6R05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r05 by Molmil](/molmil-images/mine/6r05) | T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE | Descriptor: | 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
6R07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r07 by Molmil](/molmil-images/mine/6r07) | T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
6R09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r09 by Molmil](/molmil-images/mine/6r09) | T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole | Descriptor: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
6R0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r0a by Molmil](/molmil-images/mine/6r0a) | T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | Descriptor: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
5LNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lnk by Molmil](/molmil-images/mine/5lnk) | Entire ovine respiratory complex I | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ... | Authors: | Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A. | Deposit date: | 2016-08-04 | Release date: | 2016-11-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic structure of the entire mammalian mitochondrial complex I. Nature, 538, 2016
|
|
5LSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lse by Molmil](/molmil-images/mine/5lse) | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH Glu L212 replaced with Ala (CHAIN L, EL212W), Asp L213 replaced with ALA (Chain L, DL213A) AND LEU M215 REPLACED WITH ALA (CHAIN M, LM215A) | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Fyfe, P.K, Jones, M.R. | Deposit date: | 2016-08-25 | Release date: | 2016-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | On the mechanism of ubiquinone mediated photocurrent generation by a reaction center based photocathode. Biochim.Biophys.Acta, 1857, 2016
|
|
5LOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lot by Molmil](/molmil-images/mine/5lot) | |
5LRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lri by Molmil](/molmil-images/mine/5lri) | |
7KFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kfr by Molmil](/molmil-images/mine/7kfr) | |