2VZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vzl by Molmil](/molmil-images/mine/2vzl) | FERREDOXIN-NADP REDUCTASE (MUTATIONS: T155G, A160T, L263P AND Y303S) COMPLEXED WITH NAD BY COCRYSTALLIZATION | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Medina, M. | Deposit date: | 2008-07-28 | Release date: | 2009-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase. Biochemistry, 48, 2009
|
|
2W6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w6q by Molmil](/molmil-images/mine/2w6q) | Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment | Descriptor: | 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-12-18 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
|
|
2W71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w71 by Molmil](/molmil-images/mine/2w71) | |
4POA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4poa by Molmil](/molmil-images/mine/4poa) | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BN | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
|
|
3ZZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zz4 by Molmil](/molmil-images/mine/3zz4) | Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 | Descriptor: | 3C PROTEINASE | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-08-31 | Release date: | 2012-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations To be Published
|
|
3ZZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zz3 by Molmil](/molmil-images/mine/3zz3) | Crystal structure of 3C protease mutant (N126Y) of coxsackievirus B3 | Descriptor: | 3C PROTEINASE | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-08-31 | Release date: | 2012-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations To be Published
|
|
3ZZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zz8 by Molmil](/molmil-images/mine/3zz8) | Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 82 | Descriptor: | 3C PROTEINASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-08-31 | Release date: | 2012-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations To be Published
|
|
3ZZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zza by Molmil](/molmil-images/mine/3zza) | Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 84 | Descriptor: | 3C PROTEINASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-08-31 | Release date: | 2012-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations To be Published
|
|
3ZZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zzb by Molmil](/molmil-images/mine/3zzb) | Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85 | Descriptor: | 3C PROTEINASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-08-31 | Release date: | 2012-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations To be Published
|
|
3ZZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zzd by Molmil](/molmil-images/mine/3zzd) | Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85 | Descriptor: | 3C PROTEINASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-08-31 | Release date: | 2012-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations To be Published
|
|
4PPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ppf by Molmil](/molmil-images/mine/4ppf) | Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-N | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ... | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | Deposit date: | 2014-02-26 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
|
|
2QKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qkq by Molmil](/molmil-images/mine/2qkq) | Structure of the SAM Domain of Human Ephrin Type-B Receptor 4 | Descriptor: | CHLORIDE ION, Ephrin type-B receptor 4 | Authors: | Walker, J.R, Cuerrier, D, Butler-Cole, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-11 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SAM Domain of Human Ephrin Type-B Receptor 4 (EPHB4) TO BE PUBLISHED
|
|
2QOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qoc by Molmil](/molmil-images/mine/2qoc) | Human EphA3 kinase domain, phosphorylated, AMP-PNP bound structure | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor, MAGNESIUM ION, ... | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-20 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
|
|
2QOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qoq by Molmil](/molmil-images/mine/2qoq) | Human EphA3 kinase and juxtamembrane region, base, AMP-PNP bound structure | Descriptor: | Ephrin receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Loppnau, P, Allali-Hassani, A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-20 | Release date: | 2007-10-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
|
|
2QOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qok by Molmil](/molmil-images/mine/2qok) | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F:S768A triple mutant | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-20 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
|
|
2QW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qw4 by Molmil](/molmil-images/mine/2qw4) | Human NR4A1 ligand-binding domain | Descriptor: | Orphan nuclear receptor NR4A1 | Authors: | Min, J.R, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2007-08-09 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Nr4A1 Ligand-Binding Domain To be Published
|
|
2W9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w9g by Molmil](/molmil-images/mine/2w9g) | Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim | Descriptor: | DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | Authors: | Soutter, H.H, Miller, J.R. | Deposit date: | 2009-01-23 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
|
|
1M6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m6k by Molmil](/molmil-images/mine/1m6k) | Structure of the OXA-1 class D beta-lactamase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase OXA-1 | Authors: | Sun, T, Nukaga, M, Mayama, K, Braswell, E.H, Knox, J.R. | Deposit date: | 2002-07-16 | Release date: | 2003-01-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparison of beta-lactamases of classes A and D: 1.5A crystallographic structure of the class D OXA-1 oxacillinase PROTEIN SCI., 12, 2003
|
|
2W9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w9h by Molmil](/molmil-images/mine/2w9h) | |
2Q1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q1e by Molmil](/molmil-images/mine/2q1e) | |
1LY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ly3 by Molmil](/molmil-images/mine/1ly3) | ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE | Descriptor: | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A. | Deposit date: | 2002-06-06 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr.,Sect.D, 58, 2002
|
|
3ZD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zd9 by Molmil](/molmil-images/mine/3zd9) | Potassium bound structure of E. coli ExoIX in P21 | Descriptor: | POTASSIUM ION, PROTEIN XNI | Authors: | Anstey-Gilbert, C.S, Hemsworth, G.R, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2012-11-26 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases Nucleic Acids Res., 41, 2013
|
|
3ZVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zvb by Molmil](/molmil-images/mine/3zvb) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
|
|
2Q2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q2f by Molmil](/molmil-images/mine/2q2f) | Structure of the human Selenoprotein S (VCP-interacting membrane protein) | Descriptor: | CHLORIDE ION, GLYCEROL, Selenoprotein S | Authors: | Walker, J.R, Paramanathan, R, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-28 | Release date: | 2007-06-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Human Selenoprotein S (VCP-interacting membrane protein). To be Published
|
|
3WG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wg7 by Molmil](/molmil-images/mine/3wg7) | A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H. | Deposit date: | 2013-07-29 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL. Nat.Methods, 11, 2014
|
|