3D2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d2p by Molmil](/molmil-images/mine/3d2p) | Crystal structure of N-acetylglutamate synthase from Neisseria gonorrhoeae complexed with coenzyme A and L-arginine | Descriptor: | ARGININE, COENZYME A, Putative acetylglutamate synthase | Authors: | Shi, D, Min, L, Jin, Z, Allewell, N.M, Tuchman, M. | Deposit date: | 2008-05-08 | Release date: | 2008-12-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Mechanism of Allosteric Inhibition of N-Acetyl-L-glutamate Synthase by L-Arginine. J.Biol.Chem., 284, 2009
|
|
3D4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d4p by Molmil](/molmil-images/mine/3d4p) | |
7XNJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xnj by Molmil](/molmil-images/mine/7xnj) | |
3D5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d5h by Molmil](/molmil-images/mine/3d5h) | Crystal structure of haementhin from Haemanthus multiflorus at 2.0A resolution: Formation of a novel loop on a TIM barrel fold and its functional significance | Descriptor: | ACETATE ION, Haementhin, PHOSPHATE ION | Authors: | Kumar, S, Singh, N, Sinha, M, Singh, S.B, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2008-05-16 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of haementhin from Haemanthus multiflorus at 2.0A resolution: Formation of a novel loop on a TIM barrel fold and its functional significance To be Published
|
|
3DAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dap by Molmil](/molmil-images/mine/3dap) | C. GLUTAMICUM DAP DEHYDROGENASE IN COMPLEX WITH NADP+ AND THE INHIBITOR 5S-ISOXAZOLINE | Descriptor: | (2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID, DIAMINOPIMELIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Scapin, G, Cirilli, M, Reddy, S.G, Gao, Y, Vederas, J.C, Blanchard, J.S. | Deposit date: | 1997-12-29 | Release date: | 1998-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate and inhibitor binding sites in Corynebacterium glutamicum diaminopimelate dehydrogenase. Biochemistry, 37, 1998
|
|
3D9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d9z by Molmil](/molmil-images/mine/3d9z) | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-05-28 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
|
|
3DCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dcs by Molmil](/molmil-images/mine/3dcs) | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-06-04 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
|
|
8OGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ogm by Molmil](/molmil-images/mine/8ogm) | |
3DBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dbi by Molmil](/molmil-images/mine/3dbi) | CRYSTAL STRUCTURE OF SUGAR-BINDING TRANSCRIPTIONAL REGULATOR (LACI FAMILY) FROM ESCHERICHIA COLI COMPLEXED WITH PHOSPHATE | Descriptor: | GLYCEROL, PHOSPHATE ION, SUGAR-BINDING TRANSCRIPTIONAL REGULATOR, ... | Authors: | Patskovsky, Y, Ozyurt, S, Freeman, J, Wu, B, Maletic, M, Koss, J, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-01 | Release date: | 2008-07-01 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Sugar-Binding Transcriptional Regulator (LacI Family) from Escherichia Coli Complexed with Phosphate. To be Published
|
|
3DDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ddt by Molmil](/molmil-images/mine/3ddt) | |
7XJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xjb by Molmil](/molmil-images/mine/7xjb) | Rat-COMT, opicapone,SAM and Mg bond | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Takebe, K, Iijima, H, Suzuki, M, Kuwada-Kusunose, T. | Deposit date: | 2022-04-15 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses. J.Chem.Inf.Model., 63, 2023
|
|
3D8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d8h by Molmil](/molmil-images/mine/3d8h) | Crystal structure of phosphoglycerate mutase from Cryptosporidium parvum, cgd7_4270 | Descriptor: | Glycolytic phosphoglycerate mutase | Authors: | Wernimont, A.K, Lew, J, Wasney, G, Alam, Z, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-23 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Characterization of a new phosphatase from Plasmodium. Mol.Biochem.Parasitol., 179, 2011
|
|
8OGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ogn by Molmil](/molmil-images/mine/8ogn) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A09 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, [1,2]thiazolo[5,4-b]pyridin-3-amine | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | CdaA in complex with fragment F2X-Entry A09 To Be Published
|
|
3DA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3da2 by Molmil](/molmil-images/mine/3da2) | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | Descriptor: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | Authors: | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-28 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor. To be Published
|
|
7X79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x79 by Molmil](/molmil-images/mine/7x79) | The crystal structure of human Calpain-1 protease core in complex with 14b | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | Deposit date: | 2022-03-09 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14a To Be Published
|
|
8GZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gzc by Molmil](/molmil-images/mine/8gzc) | Crystal structure of EP300 HAT domain in complex with compound 10 | Descriptor: | (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2022-09-26 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor. J.Med.Chem., 66, 2023
|
|
3DEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dey by Molmil](/molmil-images/mine/3dey) | |
6SQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sqx by Molmil](/molmil-images/mine/6sqx) | Insights into a novel NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S. | Deposit date: | 2019-09-04 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Secreted NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida Cleaves the Peptidoglycan of Potentially Competing Bacteria. Msphere, 6, 2021
|
|
3DFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dfn by Molmil](/molmil-images/mine/3dfn) | |
3ATG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3atg by Molmil](/molmil-images/mine/3atg) | endo-1,3-beta-glucanase from Cellulosimicrobium cellulans | Descriptor: | CALCIUM ION, GLUCANASE, GLYCEROL, ... | Authors: | Tanabe, Y, Pang, Z, Oda, M, Mikami, B. | Deposit date: | 2011-01-04 | Release date: | 2012-01-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural and thermodynamic characterization of endo-1,3-beta-glucanase: Insights into the substrate recognition mechanism. Biochim. Biophys. Acta, 1866, 2018
|
|
3ATV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3atv by Molmil](/molmil-images/mine/3atv) | Crystal structure of human Hsp70 NBD in the ADP-bound and Mg ion-free state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A/1B, ... | Authors: | Arakawa, A, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2011-01-13 | Release date: | 2011-12-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Biochemical and structural studies on the high affinity of Hsp70 for ADP. Protein Sci., 20, 2011
|
|
3ATK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3atk by Molmil](/molmil-images/mine/3atk) | Crystal structure of trypsin complexed with cycloheptanamine | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
|
|
3ATU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3atu by Molmil](/molmil-images/mine/3atu) | Crystal structure of human Hsp70 NBD in the ADP- and Mg ion-bound state | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A/1B, ... | Authors: | Arakawa, A, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2011-01-13 | Release date: | 2011-12-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Biochemical and structural studies on the high affinity of Hsp70 for ADP. Protein Sci., 20, 2011
|
|
3AUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3aua by Molmil](/molmil-images/mine/3aua) | Crystal structure of the quaternary complex-2 of an isomerase | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, CALCIUM ION, ... | Authors: | Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T. | Deposit date: | 2011-02-01 | Release date: | 2011-08-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum Sci Rep, 1, 2011
|
|
3ASE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ase by Molmil](/molmil-images/mine/3ase) | Crystal Structure of Zinc myoglobin soaked with Ru3O cluster | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN, SULFATE ION, ... | Authors: | Koshiyama, T, Shirai, M, Hikage, T, Tabe, H, Tanaka, K, Kitagawa, S, Ueno, T. | Deposit date: | 2010-12-11 | Release date: | 2011-04-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Post-Crystal Engineering of Zinc-Substituted Myoglobin to Construct a Long-Lived Photoinduced Charge-Separation System Angew.Chem.Int.Ed.Engl., 2011
|
|