1O3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o3j by Molmil](/molmil-images/mine/1o3j) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
7OU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ou7 by Molmil](/molmil-images/mine/7ou7) | Crystal structure of dimeric chlorite dismutase variant Q74V (CCld Q74V) from Cyanothece sp. PCC7425 in complex with nitrite | Descriptor: | Chlorite dismutase, GLYCEROL, NITRITE ION, ... | Authors: | Schmidt, D, Mlynek, G, Djinovic-Carugo, K, Obinger, C. | Deposit date: | 2021-06-11 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Impact of the dynamics of the catalytic arginine on nitrite and chlorite binding by dimeric chlorite dismutase. J.Inorg.Biochem., 227, 2021
|
|
1NMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nmz by Molmil](/molmil-images/mine/1nmz) | Crystal structure of human thymidylate kinase with NH2TMP and AppNHp | Descriptor: | 3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
|
|
7OWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7owi by Molmil](/molmil-images/mine/7owi) | Crystal structure of dimeric chlorite dismutase variant R127A (CCld R127A) from Cyanothece sp. PCC7425 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chlorite dismutase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Schmidt, D, Mlynek, G, Djinovic-Carugo, K, Obinger, C. | Deposit date: | 2021-06-18 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Impact of the dynamics of the catalytic arginine on nitrite and chlorite binding by dimeric chlorite dismutase. J.Inorg.Biochem., 227, 2021
|
|
7OU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ou9 by Molmil](/molmil-images/mine/7ou9) | Crystal structure of dimeric chlorite dismutase variant Q74E (CCld Q74E) from Cyanothece sp. PCC7425 in complex with nitrite | Descriptor: | Chlorite dismutase, GLYCEROL, NITRITE ION, ... | Authors: | Schmidt, D, Mlynek, G, Djinovic-Carugo, K, Obinger, C. | Deposit date: | 2021-06-11 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Impact of the dynamics of the catalytic arginine on nitrite and chlorite binding by dimeric chlorite dismutase. J.Inorg.Biochem., 227, 2021
|
|
7OUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oua by Molmil](/molmil-images/mine/7oua) | Crystal structure of dimeric chlorite dismutase variant R127K (CCld R127K) from Cyanothece sp. PCC7425 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chlorite dismutase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Schmidt, D, Mlynek, G, Djinovic-Carugo, K, Obinger, C. | Deposit date: | 2021-06-11 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Impact of the dynamics of the catalytic arginine on nitrite and chlorite binding by dimeric chlorite dismutase. J.Inorg.Biochem., 227, 2021
|
|
7OUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ouy by Molmil](/molmil-images/mine/7ouy) | Crystal structure of dimeric chlorite dismutase variant R127A (CCld R127A) from Cyanothece sp. PCC7425 in complex with nitrite | Descriptor: | Chlorite dismutase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schmidt, D, Mlynek, G, Djinovic-Carugo, K, Obinger, C. | Deposit date: | 2021-06-14 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Impact of the dynamics of the catalytic arginine on nitrite and chlorite binding by dimeric chlorite dismutase. J.Inorg.Biochem., 227, 2021
|
|
1TVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tvi by Molmil](/molmil-images/mine/1tvi) | Solution structure of TM1509 from Thermotoga maritima: VT1, a NESGC target protein | Descriptor: | Hypothetical UPF0054 protein TM1509 | Authors: | Penhoat, C.H, Atreya, H.S, Kim, S, Li, Z, Yee, A, Xiao, R, Murray, D, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-06-29 | Release date: | 2005-01-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of Thermotoga maritima protein TM1509 reveals a Zn-metalloprotease-like tertiary structure. J.STRUCT.FUNCT.GENOM., 6, 2005
|
|
7OV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ov3 by Molmil](/molmil-images/mine/7ov3) | Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | Deposit date: | 2021-06-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
|
|
7OV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ov2 by Molmil](/molmil-images/mine/7ov2) | Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | Deposit date: | 2021-06-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
|
|
2WGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wgm by Molmil](/molmil-images/mine/2wgm) | Complete ion-coordination structure in the rotor ring of Na-dependent F-ATP synthase | Descriptor: | ATP SYNTHASE SUBUNIT C, SODIUM ION SPECIFIC, NONAN-1-OL, ... | Authors: | Meier, T, Pogoryelov, D, Diederichs, K. | Deposit date: | 2009-04-21 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Complete Ion-Coordination Structure in the Rotor Ring of Na(+)-Dependent F-ATP Synthases. J.Mol.Biol., 391, 2009
|
|
2W8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w8f by Molmil](/molmil-images/mine/2w8f) | Aplysia californica AChBP bound to in silico compound 31 | Descriptor: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | Deposit date: | 2009-01-16 | Release date: | 2009-04-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis. J.Med.Chem., 52, 2009
|
|
2WGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wgr by Molmil](/molmil-images/mine/2wgr) | Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase | Descriptor: | GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2- | Authors: | Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A. | Deposit date: | 2009-04-24 | Release date: | 2009-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase. Proteins, 78, 2010
|
|
1U1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u1s by Molmil](/molmil-images/mine/1u1s) | Hfq protein from Pseudomonas aeruginosa. Low-salt crystals | Descriptor: | Hfq protein | Authors: | Nikulin, A.D, Stolboushkina, E.A, Perederina, I, Vassilieva, I.M, Blaesi, U, Moll, I, Kachalova, G, Vassylyev, D, Yokoyama, S, Garber, M, Nikonov, S.V, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-07-16 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Pseudomonas aeruginosa Hfq protein. Acta Crystallogr.,Sect.D, 61, 2005
|
|
7OT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ot5 by Molmil](/molmil-images/mine/7ot5) | CspA-70 cotranslational folding intermediate 1 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | Deposit date: | 2021-06-09 | Release date: | 2022-01-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
|
|
5LF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lf2 by Molmil](/molmil-images/mine/5lf2) | Crystal structure of laminin beta2 LE5-LF-LE6 | Descriptor: | CALCIUM ION, CHLORIDE ION, Laminin subunit beta-2 | Authors: | Pulido, D, Hohenester, E. | Deposit date: | 2016-06-30 | Release date: | 2016-07-27 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic analysis of the laminin beta 2 short arm reveals how the LF domain is inserted into a regular array of LE domains. Matrix Biol., 57-58, 2017
|
|
1U2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u2q by Molmil](/molmil-images/mine/1u2q) | Crystal structure of Mycobacterium tuberculosis Low Molecular Weight Protein Tyrosine Phosphatase (MPtpA) at 2.5A resolution with glycerol in the active site | Descriptor: | CHLORIDE ION, GLYCEROL, low molecular weight protein-tyrosine-phosphatase | Authors: | Madhurantakam, C, Rajakumara, E, Mazumdar, P.A, Saha, B, Mitra, D, Wiker, H.G, Sankaranarayanan, R, Das, A.K. | Deposit date: | 2004-07-20 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Low-Molecular-Weight Protein Tyrosine Phosphatase from Mycobacterium tuberculosis at 1.9-A Resolution J.Bacteriol., 187, 2005
|
|
5LI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5li7 by Molmil](/molmil-images/mine/5li7) | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | Descriptor: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
|
|
7O19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o19 by Molmil](/molmil-images/mine/7o19) | Cryo-EM structure of an Escherichia coli TnaC-ribosome complex stalled in response to L-tryptophan | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A. | Deposit date: | 2021-03-29 | Release date: | 2021-09-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling. Nat Commun, 12, 2021
|
|
7O1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o1a by Molmil](/molmil-images/mine/7o1a) | Cryo-EM structure of an Escherichia coli TnaC(R23F)-ribosome complex stalled in response to L-tryptophan | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A. | Deposit date: | 2021-03-29 | Release date: | 2021-09-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling. Nat Commun, 12, 2021
|
|
1OE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oe7 by Molmil](/molmil-images/mine/1oe7) | |
7ODX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7odx by Molmil](/molmil-images/mine/7odx) | |
7O1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o1c by Molmil](/molmil-images/mine/7o1c) | Cryo-EM structure of an Escherichia coli TnaC(R23F)-ribosome-RF2 complex stalled in response to L-tryptophan | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A. | Deposit date: | 2021-03-29 | Release date: | 2021-09-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling. Nat Commun, 12, 2021
|
|
2W5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w5v by Molmil](/molmil-images/mine/2w5v) | Structure of TAB5 alkaline phosphatase mutant His 135 Asp with Mg bound in the M3 site. | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, ZINC ION | Authors: | Koutsioulis, D, Lyskowski, A, Maki, S, Guthrie, E, Feller, G, Bouriotis, V, Heikinheimo, P. | Deposit date: | 2008-12-15 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Coordination Sphere of the Third Metal Site is Essential to the Activity and Metal Selectivity of Alkaline Phosphatases. Protein Sci., 19, 2010
|
|
2W9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w9l by Molmil](/molmil-images/mine/2w9l) | CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID | Descriptor: | COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution. PLoS Pathog., 5, 2009
|
|