5YP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yp6 by Molmil](/molmil-images/mine/5yp6) | RORgamma (263-509) complexed with SRC2 and Compound 6 | Descriptor: | N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2 | Authors: | Gao, M, Cai, W. | Deposit date: | 2017-11-01 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists ACS Med Chem Lett, 9, 2018
|
|
5YP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yp5 by Molmil](/molmil-images/mine/5yp5) | Crystal structure of RORgamma complexed with SRC2 and compound 5d | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | Authors: | Gao, M, Cai, W, Chunwa, C. | Deposit date: | 2017-11-01 | Release date: | 2018-04-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists ACS Med Chem Lett, 9, 2018
|
|
3IG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ig3 by Molmil](/molmil-images/mine/3ig3) | Crystal structure of mouse Plexin A3 intracellular domain | Descriptor: | GLYCEROL, Plxna3 protein | Authors: | He, H, Zhang, X. | Deposit date: | 2009-07-27 | Release date: | 2009-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of the plexin A3 intracellular region reveals an autoinhibited conformation through active site sequestration. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6UJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ujg by Molmil](/molmil-images/mine/6ujg) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-03 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
|
|
6UME
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ume by Molmil](/molmil-images/mine/6ume) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-09 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
|
|
6UMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umd by Molmil](/molmil-images/mine/6umd) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-09 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
|
|
6UMC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umc by Molmil](/molmil-images/mine/6umc) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-09 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
|
|
6ULJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ulj by Molmil](/molmil-images/mine/6ulj) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-08 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00045 To Be Published
|
|
6UMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umf by Molmil](/molmil-images/mine/6umf) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-09 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
|
|
6ULA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ula by Molmil](/molmil-images/mine/6ula) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00030 To Be Published
|
|
6UJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ujm by Molmil](/molmil-images/mine/6ujm) | Crystal structure of human GAC in complex with inhibitor UPGL00013 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-03 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00013 To Be Published
|
|
6UL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ul9 by Molmil](/molmil-images/mine/6ul9) | Crystal structure of human GAC in complex with inhibitor UPGL00023 | Descriptor: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q.Q, Cerione, R.A. | Deposit date: | 2019-10-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
|
|
6UK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uk6 by Molmil](/molmil-images/mine/6uk6) | |
2P0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p0e by Molmil](/molmil-images/mine/2p0e) | Human nicotinamide riboside kinase 1 in complex with tiazofurin | Descriptor: | (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL, CHLORIDE ION, Nicotinamide riboside kinase 1, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
|
|
2QSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qsy by Molmil](/molmil-images/mine/2qsy) | Human nicotinamide riboside kinase 1 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nicotinamide riboside kinase 1, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-31 | Release date: | 2007-08-14 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
|
|
2QT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qt1 by Molmil](/molmil-images/mine/2qt1) | Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside | Descriptor: | Nicotinamide riboside, Nicotinamide riboside kinase 1, PHOSPHATE ION, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-31 | Release date: | 2007-08-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
|
|
2QSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qsz by Molmil](/molmil-images/mine/2qsz) | Human nicotinamide riboside kinase 1 in complex with nicotinamide mononucleotide | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, CHLORIDE ION, Nicotinamide riboside kinase 1, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-31 | Release date: | 2007-08-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
|
|
2QT0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qt0 by Molmil](/molmil-images/mine/2qt0) | Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside and an ATP analogue | Descriptor: | MAGNESIUM ION, Nicotinamide riboside, Nicotinamide riboside kinase 1, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-31 | Release date: | 2007-08-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
|
|
5FI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fi6 by Molmil](/molmil-images/mine/5fi6) | Crystal structure of human GAC in complex with inhibitor UPGL_00011: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide | Descriptor: | 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R. | Deposit date: | 2015-12-22 | Release date: | 2016-05-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem., 24, 2016
|
|
6KI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ki7 by Molmil](/molmil-images/mine/6ki7) | Pyrophosphatase mutant K30R from Acinetobacter baumannii | Descriptor: | Inorganic pyrophosphatase | Authors: | Su, J. | Deposit date: | 2019-07-17 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate. Int J Mol Sci, 20, 2019
|
|
5YLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yls by Molmil](/molmil-images/mine/5yls) | Crystal structure of T2R-TTL-Y50 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one, ... | Authors: | Yang, J.H, Chen, L.J. | Deposit date: | 2017-10-18 | Release date: | 2018-04-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 293, 2018
|
|
5YLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ylj by Molmil](/molmil-images/mine/5ylj) | Crystal structure of T2R-TTL-Millepachine complex | Descriptor: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yang, J.H, Chen, L.J. | Deposit date: | 2017-10-17 | Release date: | 2018-04-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 293, 2018
|
|
6K21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k21 by Molmil](/molmil-images/mine/6k21) | Pyrophosphatase from Acinetobacter baumannii | Descriptor: | Inorganic pyrophosphatase, MAGNESIUM ION, SODIUM ION | Authors: | Su, J. | Deposit date: | 2019-05-13 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate. Int J Mol Sci, 20, 2019
|
|
6K27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k27 by Molmil](/molmil-images/mine/6k27) | Pyrophosphatase with PPi from Acinetobacter baumannii | Descriptor: | DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION | Authors: | Su, J. | Deposit date: | 2019-05-13 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate. Int J Mol Sci, 20, 2019
|
|
6KI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ki8 by Molmil](/molmil-images/mine/6ki8) | Pyrophosphatase mutant K149R from Acinetobacter baumannii | Descriptor: | DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION | Authors: | Su, J. | Deposit date: | 2019-07-17 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate. Int J Mol Sci, 20, 2019
|
|