3COG
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![BU of 3cog by Molmil](/molmil-images/mine/3cog) | Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-28 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S. J.Biol.Chem., 284, 2009
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7YOW
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4ZXM
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![BU of 4zxm by Molmil](/molmil-images/mine/4zxm) | Crystal structure of PGRP domain from Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3 | Descriptor: | PGRP domain of peptidoglycan recognition protein 3 | Authors: | Wang, W.J, Cheng, W, Jiang, Y.L, Yu, H.M, Luo, M. | Deposit date: | 2015-05-20 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain Plos One, 10, 2015
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1D8V
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![BU of 1d8v by Molmil](/molmil-images/mine/1d8v) | THE RESTRAINED AND MINIMIZED AVERAGE NMR STRUCTURE OF MAP30. | Descriptor: | ANTI-HIV AND ANTI-TUMOR PROTEIN MAP30 | Authors: | Wang, Y.-X, Neamati, N, Jacob, J, Palmer, I, Stahl, S.J. | Deposit date: | 1999-10-26 | Release date: | 1999-11-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of anti-HIV-1 and anti-tumor protein MAP30: structural insights into its multiple functions. Cell(Cambridge,Mass.), 99, 1999
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1FPI
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![BU of 1fpi by Molmil](/molmil-images/mine/1fpi) | FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE AND POTASSIUM IONS (100 MM) | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ... | Authors: | Villeret, V, Lipscomb, W.N. | Deposit date: | 1995-06-02 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase. Proc.Natl.Acad.Sci.USA, 92, 1995
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1FPJ
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![BU of 1fpj by Molmil](/molmil-images/mine/1fpj) | FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE, THALLIUM (10 MM) AND LITHIUM IONS (10 MM) | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ... | Authors: | Villeret, V, Lipscomb, W.N. | Deposit date: | 1995-06-02 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase. Proc.Natl.Acad.Sci.USA, 92, 1995
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1FPL
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![BU of 1fpl by Molmil](/molmil-images/mine/1fpl) | FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE AND THALLIUM IONS (10 MM) | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ... | Authors: | Villeret, V, Lipscomb, W.N. | Deposit date: | 1995-06-02 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase. Proc.Natl.Acad.Sci.USA, 92, 1995
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1FPK
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![BU of 1fpk by Molmil](/molmil-images/mine/1fpk) | FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH THALLIUM IONS (10 MM) | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE, THALLIUM (I) ION | Authors: | Villeret, V, Lipscomb, W.N. | Deposit date: | 1995-06-02 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase. Proc.Natl.Acad.Sci.USA, 92, 1995
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7DNL
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![BU of 7dnl by Molmil](/molmil-images/mine/7dnl) | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of A4B4 | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of A4B4 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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5I5D
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![BU of 5i5d by Molmil](/molmil-images/mine/5i5d) | Salmonella global domain 245 | Descriptor: | Inner membrane protein YejM | Authors: | Dong, C, Dong, H. | Deposit date: | 2016-02-15 | Release date: | 2017-04-19 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria. Sci Rep, 6, 2016
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5I5F
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![BU of 5i5f by Molmil](/molmil-images/mine/5i5f) | Salmonella global domain 191 | Descriptor: | Inner membrane protein YejM | Authors: | Dong, C, Dong, H. | Deposit date: | 2016-02-15 | Release date: | 2016-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria. Sci Rep, 6, 2016
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6LR3
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![BU of 6lr3 by Molmil](/molmil-images/mine/6lr3) | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | Deposit date: | 2020-01-15 | Release date: | 2020-07-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum. Biochem.J., 477, 2020
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3KU0
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![BU of 3ku0 by Molmil](/molmil-images/mine/3ku0) | Structure of GAP31 with adenine at its binding pocket | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin | Authors: | Kong, X.-P. | Deposit date: | 2009-11-26 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions. Biochem.Biophys.Res.Commun., 391, 2010
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3KTZ
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![BU of 3ktz by Molmil](/molmil-images/mine/3ktz) | Structure of GAP31 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein gelonin | Authors: | Kong, X.-P. | Deposit date: | 2009-11-26 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions. Biochem.Biophys.Res.Commun., 391, 2010
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8XR2
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![BU of 8xr2 by Molmil](/molmil-images/mine/8xr2) | Crystal structure of AKRtyl-apo1 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8XR4
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![BU of 8xr4 by Molmil](/molmil-images/mine/8xr4) | Crystal structure of AKRtyl-NADP(H) complex | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8XR3
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![BU of 8xr3 by Molmil](/molmil-images/mine/8xr3) | Crystal structure of AKRtyl-apo2 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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8I5I
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8I5H
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4BCG
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![BU of 4bcg by Molmil](/molmil-images/mine/4bcg) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-04-17 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.085 Å) | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
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4BCP
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![BU of 4bcp by Molmil](/molmil-images/mine/4bcp) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-04-17 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
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3ZMM
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![BU of 3zmm by Molmil](/molmil-images/mine/3zmm) | Inhibitors of Jak2 Kinase domain | Descriptor: | 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | Deposit date: | 2013-02-11 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target. Bioorg.Med.Chem.Lett., 23, 2013
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3DJA
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![BU of 3dja by Molmil](/molmil-images/mine/3dja) | Crystal Structure of cpaf solved with MAD | Descriptor: | Protein CT_858 | Authors: | Chai, J, Huang, Z. | Deposit date: | 2008-06-22 | Release date: | 2009-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for activation and inhibition of the secreted chlamydia protease CPAF Cell Host Microbe, 4, 2008
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3DPN
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![BU of 3dpn by Molmil](/molmil-images/mine/3dpn) | Crystal Structure of cpaf s499a mutant | Descriptor: | Protein CT_858 | Authors: | Chai, J, Huang, Z. | Deposit date: | 2008-07-09 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for activation and inhibition of the secreted chlamydia protease CPAF Cell Host Microbe, 4, 2008
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