5BXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bxj by Molmil](/molmil-images/mine/5bxj) | Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol | Descriptor: | P-NITROPHENOL, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wu, D, Tao, X, Chen, Z, Han, J, Jia, W, Li, X, Wang, Z, He, Y.X. | Deposit date: | 2015-06-09 | Release date: | 2016-05-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells J. Hazard. Mater., 307, 2016
|
|
3URH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3urh by Molmil](/molmil-images/mine/3urh) | Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021 | Descriptor: | 1,2-ETHANEDIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-11-22 | Release date: | 2011-12-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021 TO BE PUBLISHED
|
|
2K6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k6p by Molmil](/molmil-images/mine/2k6p) | Solution Structure of hypothetical protein, HP1423 | Descriptor: | Uncharacterized protein HP_1423 | Authors: | Kim, J, Park, S, Lee, K, Son, W, Sohn, N, Lee, B. | Deposit date: | 2008-07-15 | Release date: | 2009-06-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of hypothetical protein HP1423 (Y1423_HELPY) reveals the presence of alphaL motif related to RNA binding Proteins, 75, 2009
|
|
1NVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nvk by Molmil](/molmil-images/mine/1nvk) | T4 phage BGT in complex with UDP and a Mn2+ ion at 1.8 A resolution | Descriptor: | DNA beta-glucosyltransferase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Lariviere, L, Kurzeck, J, Gueguen-Chaignon, V, Rueger, W, Morera, S. | Deposit date: | 2003-02-04 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the T4 phage beta-glucosyltransferase and the D100A mutant in complex with UDP-glucose: glucose binding and identification of the catalytic base for a direct displacement mechanism J.Mol.Biol., 330, 2003
|
|
2KG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kg6 by Molmil](/molmil-images/mine/2kg6) | Solution Structure of the acetyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | Authors: | Crump, M.P, Evans, S.E, Eliza, P, Christopher, W. | Deposit date: | 2009-03-06 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
|
|
8AQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aqf by Molmil](/molmil-images/mine/8aqf) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | Descriptor: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | Authors: | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | Deposit date: | 2022-08-12 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy To Be Published
|
|
3CW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cw0 by Molmil](/molmil-images/mine/3cw0) | E.coli DmsD | Descriptor: | Twin-arginine leader-binding protein dmsD | Authors: | Ramasamy, S, Clemons, W. | Deposit date: | 2008-04-21 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the twin-arginine signal-binding protein DmsD from Escherichia coli. Acta Crystallogr.,Sect.F, 65, 2009
|
|
5AJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ajr by Molmil](/molmil-images/mine/5ajr) | Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol) | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Wawrzak, Z, Hoekstra, W, I Lepesheva, G. | Deposit date: | 2015-02-26 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi. Antimicrob.Agents Chemother., 60, 2015
|
|
8AYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayt by Molmil](/molmil-images/mine/8ayt) | Crystal structure of SUDV VP40 W95A mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Steinchen, W, Werel, L, Kowalski, K, Essen, L.-O, Becker, S. | Deposit date: | 2022-09-03 | Release date: | 2023-09-13 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of SUDV VP40 W95A mutant To Be Published
|
|
8AYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ayu by Molmil](/molmil-images/mine/8ayu) | Crystal structure of SUDV VP40 L117A mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Steinchen, W, Werel, L, Kowalski, K, Essen, L.-O, Becker, S. | Deposit date: | 2022-09-03 | Release date: | 2023-09-13 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of SUDV VP40 L117A mutant To Be Published
|
|
3GED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ged by Molmil](/molmil-images/mine/3ged) | Fingerprint and Structural Analysis of a Apo SCOR enzyme from Clostridium thermocellum | Descriptor: | GLYCEROL, SODIUM ION, Short-chain dehydrogenase/reductase SDR, ... | Authors: | Huether, R, Liu, Z.J, Xu, H, Wang, B.C, Pletnev, V, Mao, Q, Umland, T, Duax, W. | Deposit date: | 2009-02-25 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins, 78, 2010
|
|
5AK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ak8 by Molmil](/molmil-images/mine/5ak8) | Structure of C351A mutant of Porphyromonas gingivalis peptidylarginine deiminase | Descriptor: | 1,2-ETHANEDIOL, ALANINE, ARGININE, ... | Authors: | Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W. | Deposit date: | 2015-03-02 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis. Ann.Rheum.Dis., 75, 2016
|
|
4AGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agd by Molmil](/molmil-images/mine/4agd) | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide) | Descriptor: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | Deposit date: | 2012-01-26 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2KQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kq4 by Molmil](/molmil-images/mine/2kq4) | Atomic resolution protein structure determination by three-dimensional transferred echo double resonance solid-state nuclear magnetic resonance spectroscopy | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Nieuwkoop, A.J, Wylie, B.J, Franks, W, Shah, G.J, Rienstra, C.M. | Deposit date: | 2009-10-27 | Release date: | 2009-11-17 | Last modified: | 2024-05-22 | Method: | SOLID-STATE NMR | Cite: | Atomic resolution protein structure determination by three-dimensional transferred echo double resonance solid-state nuclear magnetic resonance spectroscopy J.Chem.Phys., 131, 2009
|
|
2KR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kr4 by Molmil](/molmil-images/mine/2kr4) | |
3UTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3utn by Molmil](/molmil-images/mine/3utn) | Crystal structure of Tum1 protein from Saccharomyces cerevisiae | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Thiosulfate sulfurtransferase TUM1 | Authors: | Qiu, R, Wang, F, Liu, M, Ji, C, Gong, W. | Deposit date: | 2011-11-26 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Tum1 protein from the yeast Saccharomyces cerevisiae. Protein Pept.Lett., 19, 2012
|
|
3UP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3up8 by Molmil](/molmil-images/mine/3up8) | Crystal structure of a putative 2,5-diketo-D-gluconic acid reductase B | Descriptor: | ACETATE ION, Putative 2,5-diketo-D-gluconic acid reductase B | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-11-17 | Release date: | 2011-12-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of a putative 2,5-diketo-D-gluconic acid reductase B To be Published
|
|
3V2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v2h by Molmil](/molmil-images/mine/3v2h) | The crystal structure of D-beta-hydroxybutyrate dehydrogenase from Sinorhizobium meliloti | Descriptor: | D-beta-hydroxybutyrate dehydrogenase | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-12-12 | Release date: | 2011-12-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of D-beta-hydroxybutyrate dehydrogenase from Sinorhizobium meliloti To be Published
|
|
3GEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3geg by Molmil](/molmil-images/mine/3geg) | Fingerprint and Structural Analysis of a SCOR enzyme with its bound cofactor from Clostridium thermocellum | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Huether, R, Liu, Z.J, Xu, H, Wang, B.C, Pletnev, V, Mao, Q, Umland, T, Duax, W. | Deposit date: | 2009-02-25 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins, 78, 2010
|
|
3V4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v4c by Molmil](/molmil-images/mine/3v4c) | Crystal structure of a semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Aldehyde dehydrogenase (NADP+) | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-12-14 | Release date: | 2011-12-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of a semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 To be Published
|
|
5COX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cox by Molmil](/molmil-images/mine/5cox) | |
3F9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f9v by Molmil](/molmil-images/mine/3f9v) | Crystal Structure Of A Near Full-Length Archaeal MCM: Functional Insights For An AAA+ Hexameric Helicase | Descriptor: | Minichromosome maintenance protein MCM | Authors: | Chen, X.J, Brewster, A.S, Wang, G.G, Yu, X, Greenleaf, W, Tjajadi, M, Klein, M. | Deposit date: | 2008-11-14 | Release date: | 2008-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (4.35 Å) | Cite: | Crystal structure of a near-full-length archaeal MCM: Functional insights for an AAA+ hexameric helicase. Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
4AGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agc by Molmil](/molmil-images/mine/4agc) | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl- vinyl)-1H-indazol-6-ylsulfanyl)-benzamide) | Descriptor: | AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | Authors: | Mctigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Kania, R.S. | Deposit date: | 2012-01-26 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2KZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kz2 by Molmil](/molmil-images/mine/2kz2) | Calmodulin, C-terminal domain, F92E mutant | Descriptor: | CALCIUM ION, Calmodulin | Authors: | Korendovych, I, Kulp, D, Wu, Y, Cheng, H, Roder, H, DeGrado, W. | Deposit date: | 2010-06-10 | Release date: | 2011-04-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Design of a switchable eliminase. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
5DEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dew by Molmil](/molmil-images/mine/5dew) | Crystal structure of PAK1 in complex with an inhibitor compound 5 | Descriptor: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2015-08-26 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Proper-ties by Employing an Unorthodox Low-pKa Polar Moiety To Be Published
|
|