4YXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yxu by Molmil](/molmil-images/mine/4yxu) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). | Descriptor: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
|
|
5LIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5liw by Molmil](/molmil-images/mine/5liw) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
|
|
5AYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ayj by Molmil](/molmil-images/mine/5ayj) | Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C | Descriptor: | 9-METHYL URIC ACID, HEXAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Hibi, T, Kume, A, Kawamura, A, Itoh, T, Nishiya, Y. | Deposit date: | 2015-08-21 | Release date: | 2016-01-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Hyperstabilization of Tetrameric Bacillus sp. TB-90 Urate Oxidase by Introducing Disulfide Bonds through Structural Plasticity Biochemistry, 55, 2016
|
|
7C25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c25 by Molmil](/molmil-images/mine/7c25) | Glycosidase Wild Type at pH8.0 | Descriptor: | AMMONIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A. | Deposit date: | 2020-05-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.505 Å) | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase. Febs J., 289, 2022
|
|
7OP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7op0 by Molmil](/molmil-images/mine/7op0) | Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ... | Authors: | Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2021-05-28 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The Chemical Synthesis of Knob Domain Antibody Fragments. Acs Chem.Biol., 16, 2021
|
|
7C24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c24 by Molmil](/molmil-images/mine/7c24) | Glycosidase F290Y at pH8.0 | Descriptor: | AMMONIUM ION, GLYCEROL, Isomaltose glucohydrolase | Authors: | Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A. | Deposit date: | 2020-05-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase. Febs J., 289, 2022
|
|
5JPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jpx by Molmil](/molmil-images/mine/5jpx) | |
8ANT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ant by Molmil](/molmil-images/mine/8ant) | |
7C26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c26 by Molmil](/molmil-images/mine/7c26) | Glycosidase Wild Type at pH4.5 | Descriptor: | AMMONIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A. | Deposit date: | 2020-05-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase. Febs J., 289, 2022
|
|
8ANU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8anu by Molmil](/molmil-images/mine/8anu) | Crystal structure of protein phi3T-93 | Descriptor: | NICKEL (II) ION, YopN. Phi3T_93 | Authors: | Zamora-Caballero, S, Marina, A. | Deposit date: | 2022-08-05 | Release date: | 2023-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.310147 Å) | Cite: | Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision. Nat Microbiol, 9, 2024
|
|
1I3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i3g by Molmil](/molmil-images/mine/1i3g) | CRYSTAL STRUCTURE OF AN AMPICILLIN SINGLE CHAIN FV, FORM 1, FREE | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ANTIBODY FV FRAGMENT | Authors: | Jung, S, Spinelli, S, Schimmele, B, Honegger, A, Pugliese, L, Cambillau, C, Pluckthun, A. | Deposit date: | 2001-02-15 | Release date: | 2001-10-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Selection, characterization and x-ray structure of anti-ampicillin single-chain Fv fragments from phage-displayed murine antibody libraries. J.Mol.Biol., 309, 2001
|
|
8ANV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8anv by Molmil](/molmil-images/mine/8anv) | |
3OP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3op8 by Molmil](/molmil-images/mine/3op8) | Crystal structure of the domain V from beta2-glycoprotein I | Descriptor: | Beta-2-glycoprotein 1, SULFATE ION | Authors: | Kolyada, A, Lee, C.-J, De Biasio, A, Beglova, N. | Deposit date: | 2010-08-31 | Release date: | 2011-01-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Novel Dimeric Inhibitor Targeting Beta2GPI in Beta2GPI/Antibody Complexes Implicated in Antiphospholipid Syndrome. Plos One, 5, 2010
|
|
7BBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bbm by Molmil](/molmil-images/mine/7bbm) | Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX | Descriptor: | 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260 | Authors: | Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G. | Deposit date: | 2020-12-18 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Chemogenetic engineering of nitrobindin toward an artificial epoxygenase Catalysis Science And Technology, 2021
|
|
4LAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lax by Molmil](/molmil-images/mine/4lax) | Crystal Structure Analysis of FKBP52, Complex with FK506 | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | Deposit date: | 2013-06-20 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge. J.Mol.Biol., 425, 2013
|
|
7P9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p9b by Molmil](/molmil-images/mine/7p9b) | Providencia stuartii Arginine decarboxylase (Adc), decamer structure | Descriptor: | Biodegradative arginine decarboxylase | Authors: | Jessop, M, Desfosses, A, Bacia-Verloop, M, Gutsche, I. | Deposit date: | 2021-07-26 | Release date: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Structural and biochemical characterisation of the Providencia stuartii arginine decarboxylase shows distinct polymerisation and regulation. Commun Biol, 5, 2022
|
|
7C27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c27 by Molmil](/molmil-images/mine/7c27) | Glycosidase F290Y at pH4.5 | Descriptor: | AMMONIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A. | Deposit date: | 2020-05-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase. Febs J., 289, 2022
|
|
5M2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m2y by Molmil](/molmil-images/mine/5m2y) | Structure of TssK C-terminal domain from E. coli T6SS | Descriptor: | TssK C | Authors: | Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A, Legrand, P. | Deposit date: | 2016-10-13 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex. Nat Microbiol, 2, 2017
|
|
7P2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p2c by Molmil](/molmil-images/mine/7p2c) | F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Meents, A, Fufina, T.Y, Vasilieva, L.G. | Deposit date: | 2021-07-05 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex. Iucrj, 9, 2022
|
|
4ETA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eta by Molmil](/molmil-images/mine/4eta) | Lysozyme, room temperature, 400 kGy dose | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
|
|
3OO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oo7 by Molmil](/molmil-images/mine/3oo7) | |
3OOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oow by Molmil](/molmil-images/mine/3oow) | Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, F.W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-08-31 | Release date: | 2010-09-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4. To be Published
|
|
8Q68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q68 by Molmil](/molmil-images/mine/8q68) | Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143 | Descriptor: | Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide | Authors: | Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L. | Deposit date: | 2023-08-11 | Release date: | 2023-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models. Mol.Cancer Ther., 23, 2024
|
|
3OXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oxp by Molmil](/molmil-images/mine/3oxp) | Structure of phosphotransferase enzyme II, A component from Yersinia pestis CO92 at 1.2 A resolution | Descriptor: | GLYCEROL, Phosphotransferase enzyme II, A component, ... | Authors: | Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-21 | Release date: | 2010-10-13 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of phosphotransferase enzyme II, A component from Yersinia pestis CO92 at 1.2 A resolution To be Published
|
|
5DNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dna by Molmil](/molmil-images/mine/5dna) | Crystal structure of Candida boidinii formate dehydrogenase | Descriptor: | FORMATE DEHYDROGENASE, SULFATE ION | Authors: | Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A. | Deposit date: | 2015-09-09 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry, 55, 2016
|
|