1JAQ
 
 | | COMPLEX OF 1-HYDROXYLAMINE-2-ISOBUTYLMALONYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide, ... | | Authors: | Grams, F, Reinemer, P, Powers, J.C, Kleine, T, Piper, M, Tschesche, H, Huber, R, Bode, W. | | Deposit date: | 1996-03-11 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of human neutrophil collagenase complexed with peptide hydroxamate and peptide thiol inhibitors. Implications for substrate binding and rational drug design.
Eur.J.Biochem., 228, 1995
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7NTH
 | | Structure of TAK1 in complex with compound 54 | | Descriptor: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7NTI
 | | Structure of TAK1 in complex with compound 22 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7O2I
 | | METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457 | | Descriptor: | DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | | Authors: | Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O. | | Deposit date: | 2021-03-30 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
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6XL1
 | | crystal structure of cA4-activated Card1(D294N) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Card1, MANGANESE (II) ION, ... | | Authors: | Rostol, J, Xie, W, Patel, D.J, Marraffini, L. | | Deposit date: | 2020-06-27 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Card1 nuclease provides defence during type III CRISPR immunity.
Nature, 590, 2021
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1JCA
 | | Non-standard Design of Unstable Insulin Analogues with Enhanced Activity | | Descriptor: | ZINC ION, insulin a, insulin b | | Authors: | Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G. | | Deposit date: | 2001-06-08 | | Release date: | 2001-06-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
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6XK0
 | | Albumin-dexamethasone complex | | Descriptor: | Albumin, CITRATE ANION, DEXAMETHASONE, ... | | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2020-06-24 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy.
Iucrj, 7, 2020
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7OLX
 | | MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group | | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | Deposit date: | 2021-05-20 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
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7P67
 | | Globular glial tauopathy type 2 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6E
 | | Argyrophilic grain disease type 2 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6D
 | | Argyrophilic grain disease type 1 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6A
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 1a tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7OLV
 | | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | | Descriptor: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | Deposit date: | 2021-05-20 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
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7OLS
 | | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | | Descriptor: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | Deposit date: | 2021-05-20 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
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7P65
 | | Progressive supranuclear palsy tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P66
 | | Globular glial tauopathy type 1 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6C
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 2 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6B
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 1b tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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6Y9B
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8R4D
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7ORW
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORU
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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2X3B
 | | AsaP1 inactive mutant E294A, an extracellular toxic zinc metalloendopeptidase | | Descriptor: | TOXIC EXTRACELLULAR ENDOPEPTIDASE, ZINC ION | | Authors: | Bogdanovic, X, Palm, G.J, Singh, R.K, Hinrichs, W. | | Deposit date: | 2010-01-22 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Evidence of Intramolecular Propeptide Inhibition of the Aspzincin Metalloendopeptidase Asap1.
FEBS Lett., 590, 2016
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2WSX
 | | Crystal Structure of Carnitine Transporter from Escherichia coli | | Descriptor: | 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, L-CARNITINE/GAMMA-BUTYROBETAINE ANTIPORTER | | Authors: | Schulze, S, Terwisscha van Scheltinga, A.C, Kuehlbrandt, W. | | Deposit date: | 2009-09-10 | | Release date: | 2010-09-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural Basis of Na(+)-Independent and Cooperative Substrate/Product Antiport in Cait.
Nature, 467, 2010
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7ORV
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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