4ZTT
| Crystal structures of ferritin mutants reveal diferric-peroxo intermediates | Descriptor: | Bacterial non-heme ferritin, FE (II) ION, FE (III) ION, ... | Authors: | Kim, S, Park, Y.H, Jung, S.W, Seok, J.H, Chung, Y.B, Lee, D.B, Gowda, G, Lee, J.H, Han, H.R, Cho, A.E, Lee, C, Chung, M.S, Kim, K.H. | Deposit date: | 2015-05-15 | Release date: | 2016-06-15 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria. J. Mol. Biol., 428, 2016
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5A62
| Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function | Descriptor: | ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN | Authors: | Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R. | Deposit date: | 2015-06-24 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function To be Published
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5A3K
| Chorismatase mechanisms reveal fundamentally different types of reaction in a single conserved protein fold | Descriptor: | 3-HYDROXYBENZOIC ACID, PUTATIVE PTERIDINE-DEPENDENT DIOXYGENASE, SULFATE ION | Authors: | Hubrich, F, Juneja, P, Mueller, M, Diederichs, K, Welte, W, Andexer, J.N. | Deposit date: | 2015-06-01 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.753 Å) | Cite: | Chorismatase Mechanisms Reveal Fundamentally Different Types of Reaction in a Single Conserved Protein Fold. J.Am.Chem.Soc., 137, 2015
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1NAX
| Thyroid receptor beta1 in complex with a beta-selective ligand | Descriptor: | Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | Deposit date: | 2002-11-29 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. J.Med.Chem., 46, 2003
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2BVR
| Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | Descriptor: | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE, ALPHA THROMBIN, HIRUDIN VARIANT-2 | Authors: | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | Deposit date: | 2005-07-04 | Release date: | 2006-10-25 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
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2BVS
| Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | Descriptor: | ALPHA THROMBIN, HIRUDIN VARIANT-2, N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | Authors: | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | Deposit date: | 2005-07-04 | Release date: | 2006-10-25 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
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6PPW
| Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate | Descriptor: | D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase | Authors: | Rosanally, A.Z, Junop, M.S, Berti, P.J. | Deposit date: | 2019-07-08 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB. Biochemistry, 58, 2019
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2BT6
| Ru(bpy)2(mbpy)-Modified Bovine Adrenodoxin | Descriptor: | (4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE), ADRENODOXIN 1, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Halavaty, A, Mueller, J.J, Contzen, J, Jung, C, Hannemann, F, Bernhardt, R, Galander, M, Lendzian, F, Heinemann, U. | Deposit date: | 2005-05-26 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Light-Induced Reduction of Bovine Adrenodoxin Via the Covalently Bound Ruthenium(II) Bipyridyl Complex: Intramolecular Electron Transfer and Crystal Structure. Biochemistry, 45, 2006
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1EG6
| CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE | Descriptor: | 5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3', 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE, BROMIDE ION, ... | Authors: | Cardin, C.J, Denny, W.A, Hobbs, J.R, Thorpe, J.H. | Deposit date: | 2000-02-14 | Release date: | 2001-01-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Guanine specific binding at a DNA junction formed by d[CG(5-BrU)ACG](2) with a topoisomerase poison in the presence of Co(2+) ions. Biochemistry, 39, 2000
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3CRX
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4P1Q
| GREEN FLUORESCENT PROTEIN E222H VARIANT | Descriptor: | Green fluorescent protein, SODIUM ION | Authors: | Klein, M, Carius, Y, Auerbach, D, Franz, S, Jung, G, Lancaster, C.R.D. | Deposit date: | 2014-02-27 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Replacement of Highly Conserved E222 by the Photostable Non-photoconvertible Histidine in GFP. Chembiochem, 15, 2014
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2R9A
| Crystal structure of human XLF | Descriptor: | Non-homologous end-joining factor 1 | Authors: | Andres, S.N, Junop, M.S. | Deposit date: | 2007-09-12 | Release date: | 2008-01-01 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Human XLF: A Twist in Nonhomologous DNA End-Joining Mol.Cell, 28
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6MYE
| Crystal structure of human Scribble PDZ1 domain in complex with internal PDZ binding motif of Src homology 3 domain-containing guanine nucleotide exchange factor (SGEF) | Descriptor: | FORMIC ACID, Protein scribble homolog, Rho guanine nucleotide exchange factor 26, ... | Authors: | Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J. | Deposit date: | 2018-11-01 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility. J.Cell Biol., 218, 2019
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7ZK6
| ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK9
| ABCB1 L971C mutant (mABCB1) in the inward facing state | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | Authors: | Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZKA
| ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK5
| ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK4
| The ABCB1 L335C mutant (mABCB1) in the outward facing state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZKB
| ABCB1 V978C mutant (mABCB1) in the inward facing state | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK8
| ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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6MYF
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2RUI
| Solution Structure of the Bacillus anthracis Sortase A-substrate Complex | Descriptor: | Boc-LPAT*, LPXTG-site transpeptidase family protein | Authors: | Chan, A.H, Yi, S, Jung, M.E, Clubb, R.T. | Deposit date: | 2014-06-22 | Release date: | 2015-09-09 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Structure of the Bacillus anthracis Sortase A Enzyme Bound to Its Sorting Signal: A FLEXIBLE AMINO-TERMINAL APPENDAGE MODULATES SUBSTRATE ACCESS. J.Biol.Chem., 290, 2015
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9C4I
| Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Nascimento, K.S, Pinto-Junior, V.R, Lima, F.E.O, Osterne, V.J.S, Oliveira, M.V, Ferreira, V.M.S, Cavada, B.S. | Deposit date: | 2024-06-04 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe To Be Published
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2KDU
| Structural basis of the Munc13-1/Ca2+-Calmodulin interaction: A novel 1-26 calmodulin binding motif with a bipartite binding mode | Descriptor: | CALCIUM ION, Calmodulin, Protein unc-13 homolog A | Authors: | Rodriguez-Castaneda, F.A, Maestre-Martinez, M, Coudevylle, N, Dimova, K, Jahn, O, Junge, H, Becker, S, Brose, N, Carlomagno, T, Griesinger, C. | Deposit date: | 2009-01-19 | Release date: | 2009-12-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Modular architecture of Munc13/calmodulin complexes: dual regulation by Ca2+ and possible function in short-term synaptic plasticity. Embo J., 29, 2010
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5JK9
| Crystal structure of human IZUMO1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1 | Authors: | Ohto, U, Ishida, H, Shimizu, T. | Deposit date: | 2016-04-26 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of IZUMO1-JUNO reveals sperm-oocyte recognition during mammalian fertilization Nature, 534, 2016
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