2VHR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vhr by Molmil](/molmil-images/mine/2vhr) | |
1NKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nki by Molmil](/molmil-images/mine/1nki) | CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN A (FOSA) CONTAINING BOUND PHOSPHONOFORMATE | Descriptor: | MANGANESE (II) ION, PHOSPHONOFORMIC ACID, POTASSIUM ION, ... | Authors: | Rife, C.L, Pharris, R.E, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2003-01-03 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Phosphonoformate: a minimal transition state analogue inhibitor of the fosfomycin resistance protein, FosA. Biochemistry, 43, 2004
|
|
8CNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cnf by Molmil](/molmil-images/mine/8cnf) | |
4A8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a8i by Molmil](/molmil-images/mine/4a8i) | Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE | Authors: | Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D. | Deposit date: | 2011-11-21 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission To be Published
|
|
4O6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o6q by Molmil](/molmil-images/mine/4o6q) | 0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant) | Descriptor: | FORMIC ACID, HasAp, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2013-12-23 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa. Biochemistry, 53, 2014
|
|
6Y0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y0y by Molmil](/molmil-images/mine/6y0y) | Sarcin Ricin Loop, mutant C2666U | Descriptor: | MAGNESIUM ION, RNA (27-MER), SODIUM ION | Authors: | Ennifar, E, Westhof, E. | Deposit date: | 2020-02-10 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Sarcin Ricin Loop, mutant C2666U To Be Published
|
|
7QQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qqc by Molmil](/molmil-images/mine/7qqc) | Structure of CTX-M-15 K73A mutant | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-01-07 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 13, 2022
|
|
7QQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qq5 by Molmil](/molmil-images/mine/7qq5) | |
7DC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dc4 by Molmil](/molmil-images/mine/7dc4) | Crystal structure of glycan-bound Pseudomonas taiwanensis lectin | Descriptor: | Lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose | Authors: | Oda, K, Matoba, Y. | Deposit date: | 2020-10-23 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Lectins engineered to favor a glycan-binding conformation have enhanced antiviral activity. J.Biol.Chem., 296, 2021
|
|
1ZZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zzk by Molmil](/molmil-images/mine/1zzk) | Crystal Structure of the third KH domain of hnRNP K at 0.95A resolution | Descriptor: | Heterogeneous nuclear ribonucleoprotein K | Authors: | Backe, P.H, Messias, A.C, Ravelli, R.B, Sattler, M, Cusack, S. | Deposit date: | 2005-06-14 | Release date: | 2005-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | X-Ray Crystallographic and NMR Studies of the Third KH Domain of hnRNP K in Complex with Single-Stranded Nucleic Acids STRUCTURE, 13, 2005
|
|
6FO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fo5 by Molmil](/molmil-images/mine/6fo5) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | Authors: | Raux, B, Betzi, S. | Deposit date: | 2018-02-06 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach. J. Med. Chem., 61, 2018
|
|
1S5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s5n by Molmil](/molmil-images/mine/1s5n) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | HYDROXIDE ION, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
|
|
7OTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7otu by Molmil](/molmil-images/mine/7otu) | Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.95 Angstroms resolution, crystal 2 | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Isoform 2 of Uridine 5'-monophosphate synthase | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2021-06-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
|
|
352D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 352d by Molmil](/molmil-images/mine/352d) | THE CRYSTAL STRUCTURE OF A PARALLEL-STRANDED PARALLEL-STRANDED GUANINE TETRAPLEX AT 0.95 ANGSTROM RESOLUTION | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION | Authors: | Phillips, K, Dauter, Z, Murchie, A.I.H, Lilley, D.M.J, Luisi, B. | Deposit date: | 1997-09-04 | Release date: | 1997-11-10 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The crystal structure of a parallel-stranded guanine tetraplex at 0.95 A resolution. J.Mol.Biol., 273, 1997
|
|
6Y5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y5s by Molmil](/molmil-images/mine/6y5s) | Crystal structure of savinase at cryogenic conditions | Descriptor: | CALCIUM ION, SODIUM ION, Subtilisin Savinase | Authors: | Wu, S, Moroz, O, Turkenburg, J, Nielsen, J.E, Wilson, K.S, Teilum, K. | Deposit date: | 2020-02-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis. Peerj, 8, 2020
|
|
8I50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i50 by Molmil](/molmil-images/mine/8i50) | Crystal structure of DNA octamer containing GuNA[Me,Me] | Descriptor: | DNA (5'-D(*GP*(OIQ)P*GP*(BRU)P*AP*CP*AP*C)-3') | Authors: | Aoyama, H, Obika, S, Yamaguchi, T. | Deposit date: | 2023-01-21 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids. Nucleic Acids Res., 51, 2023
|
|
4WKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wka by Molmil](/molmil-images/mine/4wka) | Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution | Descriptor: | Chitotriosidase-1, L(+)-TARTARIC ACID | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-02 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
|
|
2VU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vu6 by Molmil](/molmil-images/mine/2vu6) | |
1HJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hj9 by Molmil](/molmil-images/mine/1hj9) | Atomic resolution structures of trypsin provide insight into structural radiation damage | Descriptor: | ANILINE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Leiros, H.-K.S, McSweeney, S.M, Smalas, A.O. | Deposit date: | 2001-01-10 | Release date: | 2002-01-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage Acta Crystallogr.,Sect.D, 57, 2001
|
|
3G9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g9x by Molmil](/molmil-images/mine/3g9x) | Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I. | Deposit date: | 2009-02-15 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels. Acta Crystallogr.,Sect.D, 66, 2010
|
|
6SRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sry by Molmil](/molmil-images/mine/6sry) | Kemp Eliminase HG3.17 mutant Q50S, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50S, E47N,N300D, ... | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | Deposit date: | 2019-09-06 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency Acs Catalysis, 2020
|
|
6SY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sy3 by Molmil](/molmil-images/mine/6sy3) | Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | Authors: | Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-09-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
|
|
7WPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wpu by Molmil](/molmil-images/mine/7wpu) | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid | Descriptor: | Fatty acid-binding protein, heart, PENTAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid To Be Published
|
|
5ZGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zgy by Molmil](/molmil-images/mine/5zgy) | |
6YZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yzn by Molmil](/molmil-images/mine/6yzn) | Closo-carborane butyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
|
|