1BMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bmq by Molmil](/molmil-images/mine/1bmq) | CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE | Descriptor: | (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE, PROTEIN (INTERLEUKIN-1 BETA CONVERTASE) | Authors: | Okamoto, Y, Anan, H, Nakai, E, Morihira, K, Yonetoku, Y, Kurihara, H, Katayama, N, Sakashita, H, Terai, Y, Takeuchi, M, Shibanuma, T, Isomura, Y. | Deposit date: | 1998-07-24 | Release date: | 1998-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Peptide based interleukin-1 beta converting enzyme (ICE) inhibitors: synthesis, structure activity relationships and crystallographic study of the ICE-inhibitor complex. Chem.Pharm.Bull., 47, 1999
|
|
1J8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j8k by Molmil](/molmil-images/mine/1j8k) | NMR STRUCTURE OF THE FIBRONECTIN EDA DOMAIN, NMR, 20 STRUCTURES | Descriptor: | FIBRONECTIN | Authors: | Niimi, T, Osawa, M, Yamaji, N, Yasunaga, K, Sakashita, H, Mase, T, Tanaka, A, Fujita, S. | Deposit date: | 2001-05-22 | Release date: | 2002-02-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of human fibronectin EDA. J.Biomol.NMR, 21, 2001
|
|
5XFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xfv by Molmil](/molmil-images/mine/5xfv) | Crystal structures of FMN-bound form of dihydroorotate dehydrogenase from Trypanosoma brucei | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, MALONATE ION | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | Deposit date: | 2017-04-11 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei. FEBS Open Bio, 8, 2018
|
|
5XFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xfw by Molmil](/molmil-images/mine/5xfw) | Crystal structures of FMN-free form of dihydroorotate dehydrogenase from Trypanosoma brucei | Descriptor: | Dihydroorotate dehydrogenase (fumarate), MALONATE ION | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | Deposit date: | 2017-04-11 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei. FEBS Open Bio, 8, 2018
|
|
4XVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xvd by Molmil](/molmil-images/mine/4xvd) | 17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol | Descriptor: | 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y, Yamaguchi, T, Niimi, T, Sakashita, H. | Deposit date: | 2015-01-27 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
|
|
3W4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w4k by Molmil](/molmil-images/mine/3w4k) | Crystal Structure of human DAAO in complex with coumpound 13 | Descriptor: | 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | Deposit date: | 2013-01-09 | Release date: | 2013-05-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors. J.Med.Chem., 56, 2013
|
|
3W4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w4j by Molmil](/molmil-images/mine/3w4j) | Crystal Structure of human DAAO in complex with coumpound 12 | Descriptor: | 3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | Deposit date: | 2013-01-09 | Release date: | 2013-05-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors. J.Med.Chem., 56, 2013
|
|
3W4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w4i by Molmil](/molmil-images/mine/3w4i) | Crystal Structure of human DAAO in complex with coumpound 8 | Descriptor: | D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, pyridine-2,3-diol | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | Deposit date: | 2013-01-09 | Release date: | 2013-05-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors. J.Med.Chem., 56, 2013
|
|
4WDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdx by Molmil](/molmil-images/mine/4wdx) | 17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2014-09-09 | Release date: | 2015-04-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdw by Molmil](/molmil-images/mine/4wdw) | 17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone | Descriptor: | 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2014-09-09 | Release date: | 2015-04-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdt by Molmil](/molmil-images/mine/4wdt) | 17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol | Descriptor: | 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2014-09-09 | Release date: | 2015-04-15 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdu by Molmil](/molmil-images/mine/4wdu) | 17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide | Descriptor: | 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2014-09-09 | Release date: | 2015-04-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
|
|
1GCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gcz by Molmil](/molmil-images/mine/1gcz) | MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) COMPLEXED WITH INHIBITOR. | Descriptor: | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER, CITRIC ACID, MACROPHAGE MIGRATION INHIBITORY FACTOR, ... | Authors: | Katayama, N, Kurihara, H. | Deposit date: | 2000-08-24 | Release date: | 2001-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. J.Med.Chem., 44, 2001
|
|
1GD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gd0 by Molmil](/molmil-images/mine/1gd0) | HUMAN MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) | Descriptor: | CITRIC ACID, MACROPHAGE MIGRATION INHIBITORY FACTOR, SULFATE ION | Authors: | Kurihara, H, Katayama, N. | Deposit date: | 2000-08-24 | Release date: | 2001-02-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. J.Med.Chem., 44, 2001
|
|
6JTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jtb by Molmil](/molmil-images/mine/6jtb) | Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate from Porphyromonas gingivalis (Space) | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N. | Deposit date: | 2019-04-10 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase. Sci Rep, 9, 2019
|
|
6JTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jtc by Molmil](/molmil-images/mine/6jtc) | Crystal structure of dipeptidyl peptidase 11 (DPP11) with SH-5 from Porphyromonas gingivalis (Space) | Descriptor: | 2-(2-azanylethylamino)-5-nitro-benzoic acid, Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N. | Deposit date: | 2019-04-10 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase. Sci Rep, 9, 2019
|
|
2Z8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z8c by Molmil](/molmil-images/mine/2z8c) | |
2Z7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z7l by Molmil](/molmil-images/mine/2z7l) | |
4YUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yuy by Molmil](/molmil-images/mine/4yuy) | |
4YUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yuw by Molmil](/molmil-images/mine/4yuw) | |
4YV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yv2 by Molmil](/molmil-images/mine/4yv2) | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-phenyl-1,2-thiazol-3(2H)-one | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-phenyl-3-sulfanylpropanamide, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2015-03-19 | Release date: | 2015-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase Acta Crystallogr.,Sect.D, 71, 2015
|
|
4YV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yv1 by Molmil](/molmil-images/mine/4yv1) | |
4YUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yux by Molmil](/molmil-images/mine/4yux) | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2H-1,4-benzothiazin-3-amine | Descriptor: | 2H-1,4-benzothiazin-3-amine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2015-03-19 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase. Acta Crystallogr.,Sect.D, 71, 2015
|
|
3VJL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vjl by Molmil](/molmil-images/mine/3vjl) | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | Deposit date: | 2011-10-24 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem., 20, 2012
|
|
3VJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vjk by Molmil](/molmil-images/mine/3vjk) | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with MP-513 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | Deposit date: | 2011-10-24 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem., 20, 2012
|
|