3D0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d0b by Molmil](/molmil-images/mine/3d0b) | Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90 | Descriptor: | 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide, Heat shock protein HSP 90-alpha | Authors: | Barta, T.E, Veal, J.M, Huang, K.H, Hall, S.H. | Deposit date: | 2008-05-01 | Release date: | 2008-06-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90 BIOORG.MED.CHEM.LETT., 18, 2008
|
|
2GSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gsh by Molmil](/molmil-images/mine/2gsh) | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium | Descriptor: | GLYCEROL, L-RHAMNONATE DEHYDRATASE, MAGNESIUM ION | Authors: | Patskovsky, Y, Malashkevich, V.N, Sauder, J.M, Dickey, M, Adams, J.M, Wasserman, S.R, Gerlt, J, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-04-26 | Release date: | 2006-05-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Crystal Structure of L-rhamnonate dehydratase from Salmonella Typhimurium Lt2 To be Published
|
|
7S15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s15 by Molmil](/molmil-images/mine/7s15) | GLP-1 receptor bound with Pfizer small molecule agonist | Descriptor: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor | Authors: | Liu, Y, Dias, J.M, Han, S. | Deposit date: | 2021-09-01 | Release date: | 2022-06-08 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor. J.Med.Chem., 65, 2022
|
|
4UOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uoi by Molmil](/molmil-images/mine/4uoi) | Unexpected structure for the N-terminal domain of Hepatitis C virus envelope glycoprotein E1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GENOME POLYPROTEIN | Authors: | El Omari, K, Iourin, O, Kadlec, J, Harlos, K, Grimes, J.M, Stuart, D.I. | Deposit date: | 2014-06-04 | Release date: | 2014-08-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Unexpected Structure for the N-Terminal Domain of Hepatitis C Virus Envelope Glycoprotein E1 Acta Crystallogr.,Sect.D, 70, 2014
|
|
7NNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nnp by Molmil](/molmil-images/mine/7nnp) | Rb-loaded cryo-EM structure of the E1-ATP KdpFABC complex. | Descriptor: | CARDIOLIPIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Silberberg, J.M, Corey, R.A, Hielkema, L, Stock, C, Stansfeld, P.J, Paulino, C, Haenelt, I. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC. Nat Commun, 12, 2021
|
|
7NNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nnl by Molmil](/molmil-images/mine/7nnl) | Cryo-EM structure of the KdpFABC complex in an E1-ATP conformation loaded with K+ | Descriptor: | CARDIOLIPIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Silberberg, J.M, Corey, R.A, Hielkema, L, Stock, C, Stansfeld, P.J, Paulino, C, Haenelt, I. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC. Nat Commun, 12, 2021
|
|
5HOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hoo by Molmil](/molmil-images/mine/5hoo) | |
5AJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ajw by Molmil](/molmil-images/mine/5ajw) | Human PFKFB3 in complex with an indole inhibitor 2 | Descriptor: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
|
|
5I3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3o by Molmil](/molmil-images/mine/5i3o) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
|
|
5I3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3r by Molmil](/molmil-images/mine/5i3r) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
|
|
5IS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5is8 by Molmil](/molmil-images/mine/5is8) | Crystal structure of mouse CARM1 in complex with inhibitor SA0271 | Descriptor: | 1,2-ETHANEDIOL, 5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.709 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0271 To Be Published
|
|
5AJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ajz by Molmil](/molmil-images/mine/5ajz) | Human PFKFB3 in complex with an indole inhibitor 5 | Descriptor: | 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
|
|
5AK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ak0 by Molmil](/molmil-images/mine/5ak0) | Human PFKFB3 in complex with an indole inhibitor 6 | Descriptor: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
|
|
5IEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iea by Molmil](/molmil-images/mine/5iea) | TRIM5 B-box2 and coiled-coil chimera | Descriptor: | Tripartite motif-containing protein 5, Serine--tRNA ligase Chimera, ZINC ION | Authors: | Wagner, J.M, Doss, G, Pornillos, O. | Deposit date: | 2016-02-25 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.258 Å) | Cite: | Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha. Elife, 5, 2016
|
|
5I4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i4t by Molmil](/molmil-images/mine/5i4t) | |
2H73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h73 by Molmil](/molmil-images/mine/2h73) | |
6DHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dhe by Molmil](/molmil-images/mine/6dhe) | RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | Descriptor: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
|
|
6DK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dk7 by Molmil](/molmil-images/mine/6dk7) | RetS histidine kinase region with cobalt | Descriptor: | COBALT (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion) | Authors: | Mancl, J.M, Schubot, F.D. | Deposit date: | 2018-05-29 | Release date: | 2019-03-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa. Structure, 27, 2019
|
|
6DK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dk8 by Molmil](/molmil-images/mine/6dk8) | RetS kinase region without cobalt | Descriptor: | NICKEL (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion) | Authors: | Mancl, J.M, Schubot, F.D. | Deposit date: | 2018-05-29 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa. Structure, 27, 2019
|
|
6E1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e1j by Molmil](/molmil-images/mine/6e1j) | |
6E1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e1q by Molmil](/molmil-images/mine/6e1q) | AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, AtGH3.15 acyl acid amido synthetase, PHOSPHATE ION | Authors: | Sharp, A.M, Lee, S.G, Jez, J.M. | Deposit date: | 2018-07-10 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Modification of auxinic phenoxyalkanoic acid herbicides by the acyl acid amido synthetase GH3.15 from Arabidopsis. J. Biol. Chem., 293, 2018
|
|
6E3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e3j by Molmil](/molmil-images/mine/6e3j) | |
6E3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e3i by Molmil](/molmil-images/mine/6e3i) | |
6E3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e3y by Molmil](/molmil-images/mine/6e3y) | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor | Descriptor: | Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M. | Deposit date: | 2018-07-16 | Release date: | 2018-09-19 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor. Nature, 561, 2018
|
|
6EAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eas by Molmil](/molmil-images/mine/6eas) | Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076 | Descriptor: | 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine, GLYCEROL, drought responsive inactive kinase 1 | Authors: | Aquino, B, Counago, R.M, Fala, A.M, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-08-03 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal of pseudokinase DRIK1 with ENMD-2076 To be Published
|
|