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5D4N
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BU of 5d4n by Molmil
Structure of CPII bound to ADP, AMP and acetate, from Thiomonas intermedia K12
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O.
Deposit date:2015-08-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
J.Mol.Biol., 428, 2016
5D6V
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BU of 5d6v by Molmil
PduJ K25A mutant, from Salmonella enterica serovar Typhimurium LT2, PduJ mutant
Descriptor: Carboxysome shell protein
Authors:Chun, S, Sawaya, M.R, Yeates, T.O.
Deposit date:2015-08-13
Release date:2016-06-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The function of the PduJ microcompartment shell protein is determined by the genomic position of its encoding gene.
Mol.Microbiol., 101, 2016
5DLB
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BU of 5dlb by Molmil
Crystal structure of chaperone EspG3 of ESX-3 type VII secretion system from Mycobacterium marinum M
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, PLATINUM (II) ION, ...
Authors:Chan, S, Arbing, M.A, Kim, J, Kahng, S, Sawaya, M.R, Eisenberg, D.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-09-04
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
5DRK
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BU of 5drk by Molmil
2.3 Angstrom Structure of CPII, a nitrogen regulatory PII-like protein from Thiomonas intermedia K12, bound to ADP, AMP and bicarbonate.
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, ...
Authors:Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O.
Deposit date:2015-09-15
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
J.Mol.Biol., 428, 2016
5DS7
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BU of 5ds7 by Molmil
2.0 A Structure of CPII, a nitrogen regulatory PII-like protein from Thiomonas intermedia K12, bound AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Nitrogen regulatory protein P-II
Authors:Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O.
Deposit date:2015-09-17
Release date:2016-09-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
J.Mol.Biol., 428, 2016
5DLI
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BU of 5dli by Molmil
Corkscrew assembly of SOD1 residues 28-38
Descriptor: GLYCEROL, IODIDE ION, Superoxide dismutase [Cu-Zn]
Authors:Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D.
Deposit date:2015-09-05
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1ZQT
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BU of 1zqt by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (0.01 MILLIMOLAR) AND ZNCL2 (0.02 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-12
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
4M5T
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BU of 4m5t by Molmil
Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide
Descriptor: Alpha-crystallin B chain, SULFATE ION
Authors:Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D.
Deposit date:2013-08-08
Release date:2014-04-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MJH
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BU of 4mjh by Molmil
Human Hsp27 core domain in complex with C-terminal peptide
Descriptor: Heat shock protein beta-1
Authors:Laganowsky, A, Cascio, D, Sawaya, M.R, Eisenberg, D.
Deposit date:2013-09-03
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MYP
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BU of 4myp by Molmil
Structure of the central NEAT domain, N2, of the listerial Hbp2 protein complexed with heme
Descriptor: GLYCEROL, Iron-regulated surface determinant protein A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Malmirchegini, G.R, Sawaya, M.R, Clubb, R.T.
Deposit date:2013-09-27
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Mechanism of Hemin Capture by Hbp2, the Hemoglobin-binding Hemophore from Listeria monocytogenes.
J.Biol.Chem., 289, 2014
4LFD
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BU of 4lfd by Molmil
Staphylococcus aureus sortase B-substrate complex
Descriptor: (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B
Authors:Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T.
Deposit date:2013-06-26
Release date:2014-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole.
J.Biol.Chem., 289, 2014
4NIP
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BU of 4nip by Molmil
GVIGIAQ segment 147-153 from Human Superoxide Dismutase
Descriptor: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NP8
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BU of 4np8 by Molmil
Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph)
Descriptor: Microtubule-associated protein tau
Authors:Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N.
Deposit date:2013-11-20
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
4NLA
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BU of 4nla by Molmil
Structure of the central NEAT domain, N2, of the listerial Hbp2 protein, apo form
Descriptor: Iron-regulated surface determinant protein A, SULFATE ION
Authors:Malmirchegini, G.R, Sawaya, M.R, Clubb, R.T.
Deposit date:2013-11-14
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel Mechanism of Hemin Capture by Hbp2, the Hemoglobin-binding Hemophore from Listeria monocytogenes.
J.Biol.Chem., 289, 2014
4M5S
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BU of 4m5s by Molmil
Human alphaB crystallin core domain in complex with C-terminal peptide
Descriptor: Alpha-crystallin B chain, SUCCINIC ACID
Authors:Laganowsky, A, Cascio, D, Sawaya, M.R, Eisenberg, D.
Deposit date:2013-08-08
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LCL
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BU of 4lcl by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208)
Descriptor: ISOPROPYL ALCOHOL, Transesterase
Authors:Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
4LCM
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BU of 4lcm by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014)
Descriptor: Transesterase
Authors:Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
4OIK
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BU of 4oik by Molmil
(Quasi-)Racemic X-ray crystal structure of glycosylated chemokine Ser-CCL1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1, CITRIC ACID, ...
Authors:Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H.
Deposit date:2014-01-19
Release date:2014-05-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:(Quasi-)Racemic X-ray Structures of Glycosylated and Non-Glycosylated Forms of the Chemokine Ser-CCL1 Prepared by Total Chemical Synthesis.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NIN
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BU of 4nin by Molmil
DSVISLS segment 101-107 from Human Superoxide Dismutase
Descriptor: DSVISLS segment from Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NIO
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BU of 4nio by Molmil
GVTGIAQ segment 147-153 from Human Superoxide Dismutase with I149T mutation associated with a familial form of amyotrophic lateral sclerosis
Descriptor: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OIJ
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BU of 4oij by Molmil
X-ray crystal structure of racemic non-glycosylated chemokine Ser-CCL1
Descriptor: C-C motif chemokine 1, D-Ser-CCL1, SULFATE ION
Authors:Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H.
Deposit date:2014-01-19
Release date:2014-05-07
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:(Quasi-)Racemic X-ray Structures of Glycosylated and Non-Glycosylated Forms of the Chemokine Ser-CCL1 Prepared by Total Chemical Synthesis.
Angew.Chem.Int.Ed.Engl., 53, 2014
8UJA
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BU of 8uja by Molmil
T33-fn10 - Designed Tetrahedral Protein Cage Using Fragment-based Hydrogen Bond Networks
Descriptor: T33-fn10: engineered DrsE like sulfur reductase, T33-fn10: engineered enoyl-CoA hydratase/isomerase
Authors:Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-11
Release date:2024-03-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (6 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
6T19
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BU of 6t19 by Molmil
Structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals soaked with DTT at pH 7
Descriptor: SODIUM ION, Type-1Aa cytolytic delta-endotoxin
Authors:Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
6T1A
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BU of 6t1a by Molmil
Structure of mosquitocidal Cyt1Aa protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 10
Descriptor: CALCIUM ION, Type-1Aa cytolytic delta-endotoxin
Authors:Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
6T14
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BU of 6t14 by Molmil
Native structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7
Descriptor: SODIUM ION, Type-1Aa cytolytic delta-endotoxin
Authors:Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020

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