5MNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mnx by Molmil](/molmil-images/mine/5mnx) | Neutron structure of cationic trypsin in complex with 2-aminopyridine | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | NEUTRON DIFFRACTION (1.42 Å) | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
7QYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qyw by Molmil](/molmil-images/mine/7qyw) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 111 | Descriptor: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-29 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
7QZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qz4 by Molmil](/molmil-images/mine/7qz4) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 87 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-30 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
7QYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qye by Molmil](/molmil-images/mine/7qye) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78 | Descriptor: | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-28 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|
5MOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5moo by Molmil](/molmil-images/mine/5moo) | Joint X-ray/neutron structure of cationic trypsin in complex with aniline | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2017-05-24 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.441 Å), X-RAY DIFFRACTION | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
1FK1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fk1 by Molmil](/molmil-images/mine/1fk1) | STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH LAURIC ACID REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY | Descriptor: | FORMIC ACID, LAURIC ACID, NON-SPECIFIC LIPID TRANSFER PROTEIN | Authors: | Han, G.W, Lee, J.Y, Song, H.K, Shin, D.H, Suh, S.W. | Deposit date: | 2000-08-09 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography. J.Mol.Biol., 308, 2001
|
|
1FK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fk6 by Molmil](/molmil-images/mine/1fk6) | STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH ALPHA-LINOLENIC ACID REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY | Descriptor: | ALPHA-LINOLENIC ACID, FORMIC ACID, NON-SPECIFIC LIPID TRANSFER PROTEIN | Authors: | Han, G.W, Lee, J.Y, Song, H.K, Shin, D.H, Suh, S.W. | Deposit date: | 2000-08-09 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography. J.Mol.Biol., 308, 2001
|
|
6Q0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q0v by Molmil](/molmil-images/mine/6q0v) | Structure of DDB1-DDA1-DCAF15 complex bound to tasisulam and RBM39 | Descriptor: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... | Authors: | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15. Nat.Chem.Biol., 16, 2020
|
|
7NNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nnx by Molmil](/molmil-images/mine/7nnx) | E. coli NfsA with 1,4-benzoquinone | Descriptor: | 1,2-ETHANEDIOL, 1,4-benzoquinone, CHLORIDE ION, ... | Authors: | Day, M.D, Jarrom, D, Hyde, E.I, White, S.A. | Deposit date: | 2021-02-25 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN. Biochem.J., 478, 2021
|
|
7NMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nmp by Molmil](/molmil-images/mine/7nmp) | E. coli NfsA with hydroquinone | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Day, M.D, Jarrom, D, Parr, R.J, Hyde, E.I, White, S.A. | Deposit date: | 2021-02-23 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN. Biochem.J., 478, 2021
|
|
1FK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fk4 by Molmil](/molmil-images/mine/1fk4) | STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH STEARIC ACID REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY | Descriptor: | FORMIC ACID, NONSPECIFIC LIPID-TRANSFER PROTEIN, STEARIC ACID | Authors: | Han, G.W, Lee, J.Y, Song, H.K, Shin, D.H, Suh, S.W. | Deposit date: | 2000-08-09 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography. J.Mol.Biol., 308, 2001
|
|
4J75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j75 by Molmil](/molmil-images/mine/4j75) | Crystal Structure of a parasite tRNA synthetase, product-bound | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-02-12 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013
|
|
2TAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2taa by Molmil](/molmil-images/mine/2taa) | STRUCTURE AND POSSIBLE CATALYTIC RESIDUES OF TAKA-AMYLASE A | Descriptor: | CALCIUM ION, TAKA-AMYLASE A | Authors: | Kusunoki, M, Matsuura, Y, Tanaka, N, Kakudo, M. | Deposit date: | 1982-10-18 | Release date: | 1982-10-21 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and possible catalytic residues of Taka-amylase A J.Biochem.(Tokyo), 95, 1984
|
|
4ZFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zfx by Molmil](/molmil-images/mine/4zfx) | Siderocalin-mediated recognition and cellular uptake of actinides | Descriptor: | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide), Neutrophil gelatinase-associated lipocalin, SULFATE ION, ... | Authors: | Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J. | Deposit date: | 2015-04-22 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5ZDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zdk by Molmil](/molmil-images/mine/5zdk) | Crystal Structure Analysis of TtQRS in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, CHLORIDE ION, ... | Authors: | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | Deposit date: | 2018-02-23 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes Int. J. Biol. Macromol., 120, 2018
|
|
8T2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t2u by Molmil](/molmil-images/mine/8t2u) | Cryo-EM Structures of Full-length Integrin alphaIIbbeta3 in Native Lipids complexed with Eptifibatide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A. | Deposit date: | 2023-06-06 | Release date: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of full-length integrin alpha IIb beta 3 in native lipids. Nat Commun, 14, 2023
|
|
8T2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t2v by Molmil](/molmil-images/mine/8t2v) | Cryo-EM Structures of Full-length Integrin alphaIIbbeta3 in Native Lipids | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A. | Deposit date: | 2023-06-06 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of full-length integrin alpha IIb beta 3 in native lipids. Nat Commun, 14, 2023
|
|
5EC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ec9 by Molmil](/molmil-images/mine/5ec9) | Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2 | Descriptor: | 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | Authors: | Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R. | Deposit date: | 2015-10-20 | Release date: | 2016-03-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation. J.Med.Chem., 59, 2016
|
|
4V44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v44 by Molmil](/molmil-images/mine/4v44) | E. COLI (lacZ) BETA-GALACTOSIDASE IN COMPLEX WITH 2-F-LACTOSE | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Beta-Galactosidase, MAGNESIUM ION, ... | Authors: | Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W. | Deposit date: | 2001-09-13 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase Biochemistry, 40, 2001
|
|
8C9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9g by Molmil](/molmil-images/mine/8c9g) | Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with mupirocin | Descriptor: | CHLORIDE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | Authors: | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | Deposit date: | 2023-01-22 | Release date: | 2023-08-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif. Nat Commun, 14, 2023
|
|
8C8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c8u by Molmil](/molmil-images/mine/8c8u) | Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 complexed with mupirocin | Descriptor: | Isoleucine--tRNA ligase, L(+)-TARTARIC ACID, MUPIROCIN, ... | Authors: | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Gruic-Sovulj, I, Ban, N. | Deposit date: | 2023-01-21 | Release date: | 2023-08-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif. Nat Commun, 14, 2023
|
|
8C2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c2h by Molmil](/molmil-images/mine/8c2h) | Transmembrane domain of active state homomeric GluA1 AMPA receptor in tandem with TARP gamma 3 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ... | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | Deposit date: | 2022-12-22 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor. Nature, 621, 2023
|
|
8C1P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c1p by Molmil](/molmil-images/mine/8c1p) | Active state homomeric GluA1 AMPA receptor in complex with TARP gamma 3 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CYCLOTHIAZIDE, ... | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | Deposit date: | 2022-12-21 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor. Nature, 621, 2023
|
|
8C9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9d by Molmil](/molmil-images/mine/8c9d) | Priestia megaterium W130Q mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue | Descriptor: | D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ... | Authors: | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | Deposit date: | 2023-01-21 | Release date: | 2023-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif. Nat Commun, 14, 2023
|
|
8C2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c2i by Molmil](/molmil-images/mine/8c2i) | Transmembrane domain of resting state homomeric GluA1 AMPA receptor in complex with TARP gamma 3 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ... | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | Deposit date: | 2022-12-22 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor. Nature, 621, 2023
|
|