1IK3
 
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH 13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID | | Descriptor: | (TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACID, (TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-OCTADECENOIC ACID, 13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID, ... | | Authors: | Skrzypczak-Jankun, E, Funk Jr, M.O. | | Deposit date: | 2001-05-01 | | Release date: | 2001-11-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of a purple lipoxygenase.
J.Am.Chem.Soc., 123, 2001
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4X21
 | | The MAP kinase JNK3 as target for halogen bonding | | Descriptor: | CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | | Authors: | Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. | | Deposit date: | 2014-11-25 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
J.Am.Chem.Soc., 137, 2015
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4C7M
 | | The crystal structure of TcpB or BtpA TIR domain | | Descriptor: | Toll/interleukin-1 receptor domain-containing protein | | Authors: | Alaidarous, M, Ve, T, Casey, L.W, Valkov, E, Ullah, M.O, Schembri, M.A, Mansell, A, Sweet, M.J, Kobe, B. | | Deposit date: | 2013-09-23 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Mechanism of bacterial interference with TLR4 signaling by Brucella Toll/interleukin-1 receptor domain-containing protein TcpB.
J.Biol.Chem., 289, 2014
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9F8G
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1D7M
 | | COILED-COIL DIMERIZATION DOMAIN FROM CORTEXILLIN I | | Descriptor: | CORTEXILLIN I | | Authors: | Burkhard, P, Kammerer, R.A, Steinmetz, M.O, Bourenkov, G.P, Aebi, U. | | Deposit date: | 1999-10-19 | | Release date: | 2000-03-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The coiled-coil trigger site of the rod domain of cortexillin I unveils a distinct network of interhelical and intrahelical salt bridges.
Structure Fold.Des., 8, 2000
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1SD0
 | | Structure of arginine kinase C271A mutant | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | | Authors: | Gattis, J.L, Ruben, E, Fenley, M.O, Ellington, W.R, Chapman, M.S. | | Deposit date: | 2004-02-12 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The active site cysteine of arginine kinase: structural and functional analysis of partially active mutants
Biochemistry, 43, 2004
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4KI1
 | | Primitive triclinic crystal form of the human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23 | | Descriptor: | IG EPSILON CHAIN C REGION, LOW AFFINITY IMMUNOGLOBULIN EPSILON FC RECEPTOR, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Dhaliwal, B, Pang, M.O.Y, Sutton, B.J, Beavil, A.J. | | Deposit date: | 2013-05-01 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A range of C3-C4 interdomain angles in IgE Fc accommodate binding to its receptor CD23.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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1S9Z
 | | SYNTHETIC 17 AMINO ACID LONG PEPTIDE THAT FORMS A NATIVE-LIKE COILED-COIL AT AMBIENT TEMPERATURE AND AGGREGATES INTO AMYLOID-LIKE FIBRILS AT HIGHER TEMPERATURES. | | Descriptor: | SODIUM ION, SYNTHETIC COILED-COIL PEPTIDE, ZINC ION | | Authors: | Kammerer, R.A, Kostrewa, D, Zurdo, J, Detken, A, Garcia-Echeverria, C, Green, J.D, Muller, S.A, Meier, B.H, Winkler, F.K, Dobson, C.M, Steinmetz, M.O. | | Deposit date: | 2004-02-06 | | Release date: | 2004-04-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Exploring amyloid formation by a de novo design
Proc.Natl.Acad.Sci.USA, 101, 2004
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5W11
 | | Biochemical and structural insights into the catalytic mechanism of thermostable cellobiohydrolase Cel7A from industrially relevant fungus Myceliophthora thermophila | | Descriptor: | Glucanase, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, alpha-D-mannopyranose, ... | | Authors: | Kadowaki, M.A.S, Higasi, P, de Godoy, M.O, Prade, R.A, Polikarpov, I. | | Deposit date: | 2017-06-01 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.311 Å) | | Cite: | Biochemical and structural insights into a thermostable cellobiohydrolase from Myceliophthora thermophila.
FEBS J., 285, 2018
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2H77
 | | Crystal structure of human TR alpha bound T3 in monoclinic space group | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, THRA protein | | Authors: | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I. | | Deposit date: | 2006-06-01 | | Release date: | 2006-07-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function.
J.Mol.Biol., 360, 2006
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4TV8
 | | Tubulin-Maytansine complex | | Descriptor: | (3beta,4beta,5beta,10beta,11E,13E)-maytansine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | | Deposit date: | 2014-06-26 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1Z2B
 | | Tubulin-colchicine-vinblastine: stathmin-like domain complex | | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gigant, B, Wang, C, Ravelli, R.B.G, Roussi, F, Steinmetz, M.O, Curmi, P.A, Sobel, A, Knossow, M. | | Deposit date: | 2005-03-08 | | Release date: | 2005-05-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structural basis for the regulation of tubulin by vinblastine.
Nature, 435, 2005
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2AKF
 | | Crystal structure of the coiled-coil domain of coronin 1 | | Descriptor: | Coronin-1A, ZINC ION | | Authors: | Kammerer, R.A, Kostrewa, D, Progias, P, Honnappa, S, Avila, D, Lustig, A, Winkler, F.K, Pieters, J, Steinmetz, M.O. | | Deposit date: | 2005-08-03 | | Release date: | 2005-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A conserved trimerization motif controls the topology of short coiled coils
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3E2U
 | | Crystal structure of the zink-knuckle 2 domain of human CLIP-170 in complex with CAP-Gly domain of human dynactin-1 (p150-GLUED) | | Descriptor: | CAP-Gly domain-containing linker protein 1, Dynactin subunit 1, ZINC ION | | Authors: | Weisbrich, A, Honnappa, S, Capitani, G, Steinmetz, M.O. | | Deposit date: | 2008-08-06 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-function relationship of CAP-Gly domains
Nat.Struct.Mol.Biol., 14, 2007
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3GJP
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3GJO
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7PJF
 | | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | | Descriptor: | Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | | Deposit date: | 2021-08-24 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.862 Å) | | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
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7PJE
 | | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | | Descriptor: | Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | | Deposit date: | 2021-08-24 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
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3C64
 | | The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1) | | Descriptor: | CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL | | Authors: | Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N. | | Deposit date: | 2008-02-02 | | Release date: | 2008-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
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3CO1
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8RIV
 | | T2R-TTL-1-K08 complex | | Descriptor: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | | Deposit date: | 2023-12-19 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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8RIW
 | | T2R-TTL-1-L01 complex | | Descriptor: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | | Deposit date: | 2023-12-19 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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8R67
 | | tubulin-cryptophycin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ... | | Authors: | Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E. | | Deposit date: | 2023-11-21 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop.
J.Biol.Chem., 300, 2024
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7AU5
 | | Tubulin-noscapine-analogue-14e complex | | Descriptor: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J. | | Deposit date: | 2020-11-02 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure.
Chemmedchem, 16, 2021
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7AG9
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