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1CON
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BU of 1con by Molmil
THE REFINED STRUCTURE OF CADMIUM SUBSTITUTED CONCANAVALIN A AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CADMIUM ION, CALCIUM ION, CONCANAVALIN A
Authors:Naismith, J.H, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Kalb(Gilboa), A.J, Yariv, J, Wan, T.C.M, Weisgerber, S.
Deposit date:1993-03-16
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structure of cadmium-substituted concanavalin A at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
5MJ1
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BU of 5mj1 by Molmil
Extracellular domain of human CD83 - rhombohedral crystal form
Descriptor: CD83 antigen, DI(HYDROXYETHYL)ETHER
Authors:Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A.
Deposit date:2016-11-29
Release date:2017-03-29
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
2VNN
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BU of 2vnn by Molmil
Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
Authors:Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2VNM
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BU of 2vnm by Molmil
Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)benzamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Authors:Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2WF4
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BU of 2wf4 by Molmil
Human BACE-1 in complex with 6-ethyl-1-methyl-N-((1S)-2-oxo-1-(phenylmethyl)-3-(tetrahydro-2H-pyran-4-ylamino)propyl)-1,3,4,6- tetrahydro(1,2)thiazepino(5,4,3-cd)indole-8-carboxamide 2,2-dioxide
Descriptor: BETA-SECRETASE 1, N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE
Authors:Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2009-04-02
Release date:2009-05-12
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Second Generation of Bace-1 Inhibitors Part 3: Towards Non Hydroxyethylamine Transition State Mimetics.
Bioorg.Med.Chem.Lett., 19, 2009
2WF1
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BU of 2wf1 by Molmil
Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide
Descriptor: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
Authors:Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2009-04-02
Release date:2009-05-19
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
2WF2
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BU of 2wf2 by Molmil
Human BACE-1 in complex with 8-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4,7, 8-tetrahydro-1H,6H-(1,2,5)thiadiazepino(5,4,3-de)quinoxaline-10- carboxamide 2,2-dioxide
Descriptor: BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE
Authors:Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2009-04-02
Release date:2009-05-19
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
2WF0
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BU of 2wf0 by Molmil
Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE
Authors:Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2009-04-02
Release date:2009-05-19
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics.
Bioorg.Med.Chem.Lett., 19, 2009
7OA6
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BU of 7oa6 by Molmil
Pseudo-atomic model for Hsp26 residues 63 to 214. Please be advised that the target map is not of sufficient resolution to unambiguously position backbone or side chain atoms. This model represents a likely fit.
Descriptor: Heat shock protein 26
Authors:Muehlhofer, M, Peters, C, Kriehuber, T, Kreuzeder, M, Kazman, P, Rodina, N, Reif, B, Haslbeck, M, Weinkauf, S, Buchner, J.
Deposit date:2021-04-19
Release date:2021-11-24
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Phosphorylation activates the yeast small heat shock protein Hsp26 by weakening domain contacts in the oligomer ensemble.
Nat Commun, 12, 2021
4Z3W
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BU of 4z3w by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA
Descriptor: 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ...
Authors:Weinert, T, Kung, J, Weidenweber, S, Huwiler, S, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
1M6N
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BU of 1m6n by Molmil
Crystal structure of the SecA translocation ATPase from Bacillus subtilis
Descriptor: Preprotein translocase secA, SULFATE ION
Authors:Hunt, J.F, Weinkauf, S, Henry, L, Fak, J.J, McNicholas, P, Oliver, D.B, Deisenhofer, J.
Deposit date:2002-07-16
Release date:2002-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nucleotide Control of Interdomain Interactions in the Conformational Reaction Cycle of SecA
Science, 297, 2002
7PZJ
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BU of 7pzj by Molmil
Structure of a bacteroidetal polyethylene terephthalate (PET) esterase
Descriptor: Lipase, POTASSIUM ION
Authors:Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R.
Deposit date:2021-10-12
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity.
Front Microbiol, 12, 2021
1M74
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BU of 1m74 by Molmil
Crystal structure of Mg-ADP-bound SecA from Bacillus subtilis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA, ...
Authors:Hunt, J.F, Weinkauf, S, Henry, L, Fak, J.J, McNicholas, P, Oliver, D.B, Deisenhofer, J.
Deposit date:2002-07-16
Release date:2002-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Nucleotide Control of Interdomain Interactions in the Conformational Reaction Cycle of SecA
Science, 297, 2002
4Z40
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BU of 4z40 by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase as isolated
Descriptor: Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
4Z3Z
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BU of 4z3z by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Zinc
Descriptor: Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.666 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
4Z3Y
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BU of 4z3y by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA
Descriptor: Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
7PE3
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BU of 7pe3 by Molmil
Pseudo-atomic model of the tetrahedral 24mer of Hsp17 from Caenorhabditis elegans
Descriptor: SHSP domain-containing protein
Authors:Rossa, B, Weinkauf, S, Buchner, J.
Deposit date:2021-08-09
Release date:2022-12-14
Last modified:2023-01-04
Method:ELECTRON MICROSCOPY (6.49 Å)
Cite:The permanently chaperone-active small heat shock protein Hsp17 from Caenorhabditis elegans exhibits topological separation of its N-terminal regions.
J.Biol.Chem., 299, 2022
4Z3X
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BU of 4z3x by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA
Descriptor: 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
6T1R
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BU of 6t1r by Molmil
Pseudo-atomic model of a 16-mer assembly of reduced recombinant human alphaA-crystallin (non domain swapped configuration)
Descriptor: Alpha-crystallin A chain
Authors:Peters, C, Kaiser, C.J.O, Weinkauf, S, Zacharias, M, Buchner, J.
Deposit date:2019-10-05
Release date:2019-12-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:The structure and oxidation of the eye lens chaperone alpha A-crystallin.
Nat.Struct.Mol.Biol., 26, 2019
6RBD
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BU of 6rbd by Molmil
State 1 of yeast Tsr1-TAP Rps20-Deltaloop pre-40S particles
Descriptor: 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
Authors:Shayan, R, Mitterer, V, Ferreira-Cerca, S, Murat, G, Enne, T, Rinaldi, D, Weigl, S, Omanic, H, Gleizes, P.E, Kressler, D, Pertschy, B, Plisson-Chastang, C.
Deposit date:2019-04-10
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Conformational proofreading of distant 40S ribosomal subunit maturation events by a long-range communication mechanism.
Nat Commun, 10, 2019
6RBE
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BU of 6rbe by Molmil
State 2 of yeast Tsr1-TAP Rps20-Deltaloop pre-40S particles
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
Authors:Shayan, R, Mitterer, V, Ferreira-Cerca, S, Murat, G, Enne, T, Rinaldi, D, Weigl, S, Omanic, H, Gleizes, P.E, Kressler, D, Pertschy, B, Plisson-Chastang, C.
Deposit date:2019-04-10
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformational proofreading of distant 40S ribosomal subunit maturation events by a long-range communication mechanism.
Nat Commun, 10, 2019
3T2N
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BU of 3t2n by Molmil
Human hepsin protease in complex with the Fab fragment of an inhibitory antibody
Descriptor: Antibody, Fab fragment, Heavy Chain, ...
Authors:Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Allosteric antibody inhibition of human hepsin protease.
Biochem.J., 442, 2012
4YE0
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BU of 4ye0 by Molmil
Stress-induced protein 1 truncation mutant (43 - 140) from Caenorhabditis elegans
Descriptor: SULFATE ION, Stress-induced protein 1
Authors:Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J.
Deposit date:2015-02-23
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015
1YDM
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BU of 1ydm by Molmil
X-Ray structure of Northeast Structural Genomics target SR44
Descriptor: Hypothetical protein yqgN, SULFATE ION
Authors:Kuzin, A.P, Jianwei, S, Vorobiev, S, Acton, T, Xia, R, Ma, L.-C, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-12-24
Release date:2005-01-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-Ray structure of Northeast Structural Genomics target SR44
To be Published
4YDZ
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BU of 4ydz by Molmil
Stress-induced protein 1 from Caenorhabditis elegans
Descriptor: Stress-induced protein 1
Authors:Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J.
Deposit date:2015-02-23
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015

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