6SR7
 
 | | Structure of the U1A variant A1-98 Y31H/Q36R/K98W | | Descriptor: | SULFATE ION, U1 small nuclear ribonucleoprotein A | | Authors: | Rosenbach, H, Span, I. | | Deposit date: | 2019-09-05 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
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6SQQ
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6SQV
 | | Structure of the U1A variant A1-98 Y31H/Q36R/R70W | | Descriptor: | SULFATE ION, U1 small nuclear ribonucleoprotein A | | Authors: | Rosenbach, H, Span, I. | | Deposit date: | 2019-09-04 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
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6SQT
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6SQN
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1TCD
 | | TRYPANOSOMA CRUZI TRIOSEPHOSPHATE ISOMERASE | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | Maldonado, E, Soriano-Garcia, M, Cabrera, N, Garza-Ramos, G, Tuena De Gomez-Puyou, M, Gomez-Puyou, A, Perez-Montfort, R. | | Deposit date: | 1998-01-29 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Differences in the intersubunit contacts in triosephosphate isomerase from two closely related pathogenic trypanosomes.
J.Mol.Biol., 283, 1998
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1AL4
 | | GRAMICIDIN D FROM BACILLUS BREVIS (N-PROPANOL SOLVATE) | | Descriptor: | GRAMICIDIN D, N-PROPANOL | | Authors: | Burkhart, B.M, Gassman, R.M, Pangborn, W.A, Duax, W.L. | | Deposit date: | 1997-06-11 | | Release date: | 1998-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Heterodimer Formation and Crystal Nucleation of Gramicidin D
Biophys.J., 75, 1998
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2OO0
 | | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane | | Descriptor: | 3-AMINOOXY-1-AMINOPROPANE, ACETATE ION, Ornithine decarboxylase, ... | | Authors: | Dufe, V.T, Ingner, D, Khomutov, A.R, Heby, O, Persson, L, Al-Karadaghi, S. | | Deposit date: | 2007-01-25 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Biochem.J., 405, 2007
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2ON3
 | | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane | | Descriptor: | 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase | | Authors: | Dufe, V.T, Ingner, D, Heby, O, Khomutov, A.R, Persson, L, Al-Karadaghi, S. | | Deposit date: | 2007-01-23 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Biochem.J., 405, 2007
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7UE3
 | | PANK3 complex structure with compound PZ-3804 | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UE5
 | | PANK3 complex structure with compound PZ-3741 | | Descriptor: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UE6
 | | PANK3 complex structure with compound PZ-3802 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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1OY0
 | | The crystal Structure of the First Enzyme of Pantothenate Biosynthetic Pathway, Ketopantoate Hydroxymethyltransferase from Mycobacterium Tuberculosis Shows a Decameric Assembly and Terminal Helix-Swapping | | Descriptor: | Ketopantoate hydroxymethyltransferase, MAGNESIUM ION | | Authors: | Chaudhuri, B.N, Sawaya, M.R, Kim, C.Y, Waldo, G.S, Park, M.S, Terwilliger, T.C, Yeates, T.O, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-04-03 | | Release date: | 2003-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Crystal Structure of the First Enzyme in the Pantothenate Biosynthetic Pathway,
Ketopantoate Hydroxymethyltransferase, from M. tuberculosis
Structure, 11, 2003
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1QJC
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5DXU
 | | p110delta/p85alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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5DXT
 | | p110alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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1NL6
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1NLJ
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7F8N
 | | Human pannexin-1 showing a conformational change in the N-terminal domain and blocked pore | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1 | | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | | Deposit date: | 2021-07-02 | | Release date: | 2022-01-26 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
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7F8J
 | | Cryo-EM structure of human pannexin-1 in a nanodisc | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1 | | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | | Deposit date: | 2021-07-02 | | Release date: | 2022-01-26 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
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3AVP
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol | | Descriptor: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, CITRATE ANION, GLYCEROL, ... | | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | | Deposit date: | 2011-03-06 | | Release date: | 2011-08-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
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3AVQ
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with N9-Pan | | Descriptor: | (2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide, CITRATE ANION, GLYCEROL, ... | | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | | Deposit date: | 2011-03-06 | | Release date: | 2011-08-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
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3AVO
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenate | | Descriptor: | CITRATE ANION, GLYCEROL, PANTOTHENOIC ACID, ... | | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | | Deposit date: | 2011-03-06 | | Release date: | 2011-08-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
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8WBH
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6AGF
 | | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | | Deposit date: | 2018-08-11 | | Release date: | 2018-10-10 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
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