4M6P
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![BU of 4m6p by Molmil](/molmil-images/mine/4m6p) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-08-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVB
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![BU of 4lvb by Molmil](/molmil-images/mine/4lvb) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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8WY5
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![BU of 8wy5 by Molmil](/molmil-images/mine/8wy5) | Structure of Gabija GajA in complex with DNA | Descriptor: | CALCIUM ION, DNA (5'-D(P*AP*AP*AP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*TP*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*AP*TP*AP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*TP*TP*T)-3'), ... | Authors: | Li, J, Wang, Z, Wang, L. | Deposit date: | 2023-10-30 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Structures and activation mechanism of the Gabija anti-phage system. Nature, 629, 2024
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8WY4
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![BU of 8wy4 by Molmil](/molmil-images/mine/8wy4) | GajA tetramer with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA | Authors: | Li, J, Wang, Z, Wang, L. | Deposit date: | 2023-10-30 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structures and activation mechanism of the Gabija anti-phage system. Nature, 629, 2024
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8X5I
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![BU of 8x5i by Molmil](/molmil-images/mine/8x5i) | tetramer Gabija with ATP (local refinement) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, MAGNESIUM ION | Authors: | Li, J, Wang, Z, Wang, L. | Deposit date: | 2023-11-17 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structures and activation mechanism of the Gabija anti-phage system. Nature, 629, 2024
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8X5N
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![BU of 8x5n by Molmil](/molmil-images/mine/8x5n) | Tetramer Gabija with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, Gabija protein GajB, ... | Authors: | Li, J, Wang, Z, Wang, L. | Deposit date: | 2023-11-17 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures and activation mechanism of the Gabija anti-phage system. Nature, 629, 2024
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8X51
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![BU of 8x51 by Molmil](/molmil-images/mine/8x51) | Cryo-EM structure of Gabija GajA in complex with DNA(focused refinement) | Descriptor: | CALCIUM ION, DNA (5'-D(*AP*AP*AP*AP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*TP*AP*TP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*TP*AP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*TP*TP*TP*T)-3'), ... | Authors: | Li, J, Wang, Z, Wang, L. | Deposit date: | 2023-11-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structures and activation mechanism of the Gabija anti-phage system. Nature, 629, 2024
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8V6U
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![BU of 8v6u by Molmil](/molmil-images/mine/8v6u) | 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | Descriptor: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | Authors: | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | Deposit date: | 2023-12-03 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | AlphaFold2 structures guide prospective ligand discovery. Science, 384, 2024
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2BYU
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![BU of 2byu by Molmil](/molmil-images/mine/2byu) | Negative stain EM reconstruction of M.tuberculosis Acr1(Hsp 16.3) fitted with wheat sHSP dimer | Descriptor: | HEAT SHOCK PROTEIN 16.9B | Authors: | Kennaway, C.K, Benesch, J.L.P, Gohlke, U, Wang, L, Robinson, C.V, Orlova, E.V, Saibil, H.R, Keep, N.H. | Deposit date: | 2005-08-05 | Release date: | 2005-08-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (16.5 Å) | Cite: | Dodecameric Structure of the Small Heat Shock Protein Acr1 from Mycobacterium Tuberculosis. J.Biol.Chem., 280, 2005
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2ZGJ
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![BU of 2zgj by Molmil](/molmil-images/mine/2zgj) | Crystal Structure of D86N-GzmM Complexed with Its Optimal Synthesized Substrate | Descriptor: | Granzyme M, SSGKVPLS, SULFATE ION | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-01-22 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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2ZGH
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![BU of 2zgh by Molmil](/molmil-images/mine/2zgh) | Crystal Structure of active granzyme M bound to its product | Descriptor: | Granzyme M, SSGKVPL, SULFATE ION | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-01-22 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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2ZKS
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![BU of 2zks by Molmil](/molmil-images/mine/2zks) | Structural insights into the proteolytic machinery of apoptosis-inducing Granzyme M | Descriptor: | Granzyme M, SULFATE ION, hGzmM inhibitor | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Yang, X, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-03-28 | Release date: | 2009-03-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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5G0F
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![BU of 5g0f by Molmil](/molmil-images/mine/5g0f) | Crystal structure of Danio rerio HDAC6 ZnF-UBP domain | Descriptor: | GLYCINE, HDAC6, NICKEL (II) ION, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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5G0H
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![BU of 5g0h by Molmil](/molmil-images/mine/5g0h) | Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A | Descriptor: | 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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5G0J
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![BU of 5g0j by Molmil](/molmil-images/mine/5g0j) | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A | Descriptor: | CHLORIDE ION, HDAC6, NEXTURASTAT A, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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3J1F
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![BU of 3j1f by Molmil](/molmil-images/mine/3j1f) | Cryo-EM structure of 9-fold symmetric rATcpn-beta in ATP-binding state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperonin beta subunit, MAGNESIUM ION | Authors: | Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F. | Deposit date: | 2012-02-06 | Release date: | 2013-08-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Flexible interwoven termini determine the thermal stability of thermosomes. Protein Cell, 4, 2013
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4YFF
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![BU of 4yff by Molmil](/molmil-images/mine/4yff) | TNNI3K complexed with inhibitor 2 | Descriptor: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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5G0I
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![BU of 5g0i by Molmil](/molmil-images/mine/5g0i) | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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2ZGC
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![BU of 2zgc by Molmil](/molmil-images/mine/2zgc) | Crystal Structure of Active Human Granzyme M | Descriptor: | Granzyme M, SULFATE ION | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-01-21 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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3ZPK
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![BU of 3zpk by Molmil](/molmil-images/mine/3zpk) | Atomic-resolution structure of a quadruplet cross-beta amyloid fibril. | Descriptor: | TRANSTHYRETIN | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | Deposit date: | 2013-02-28 | Release date: | 2013-12-04 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY, SOLID-STATE NMR | Cite: | Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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4WUM
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![BU of 4wum by Molmil](/molmil-images/mine/4wum) | |
4AG5
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![BU of 4ag5 by Molmil](/molmil-images/mine/4ag5) | Structure of VirB4 of Thermoanaerobacter pseudethanolicus | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Wallden, K, Williams, R, Yan, J, Lian, P.W, Wang, L, Thalassinos, K, Orlova, E.V, Waksman, G. | Deposit date: | 2012-01-24 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the Virb4 ATPase, Alone and Bound to the Core Complex of a Type Iv Secretion System. Proc.Natl.Acad.Sci.USA, 109, 2012
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4AG6
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![BU of 4ag6 by Molmil](/molmil-images/mine/4ag6) | Structure of VirB4 of Thermoanaerobacter pseudethanolicus | Descriptor: | SULFATE ION, TYPE IV SECRETORY PATHWAY VIRB4 COMPONENTS-LIKE PROTEIN | Authors: | Wallden, K, Williams, R, Yan, J, Lian, P.W, Wang, L, Thalassinos, K, Orlova, E.V, Waksman, G. | Deposit date: | 2012-01-24 | Release date: | 2012-07-04 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the Virb4 ATPase, Alone and Bound to the Core Complex of a Type Iv Secretion System. Proc.Natl.Acad.Sci.USA, 109, 2012
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3J1E
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![BU of 3j1e by Molmil](/molmil-images/mine/3j1e) | Cryo-EM structure of 9-fold symmetric rATcpn-beta in apo state | Descriptor: | Chaperonin beta subunit | Authors: | Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F. | Deposit date: | 2012-02-06 | Release date: | 2013-08-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | Flexible interwoven termini determine the thermal stability of thermosomes. Protein Cell, 4, 2013
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3J1B
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![BU of 3j1b by Molmil](/molmil-images/mine/3j1b) | Cryo-EM structure of 8-fold symmetric rATcpn-alpha in apo state | Descriptor: | Chaperonin alpha subunit | Authors: | Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F. | Deposit date: | 2012-02-06 | Release date: | 2013-08-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Flexible interwoven termini determine the thermal stability of thermosomes. Protein Cell, 4, 2013
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