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2A4L
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BU of 2a4l by Molmil
Human cyclin-dependent kinase 2 in complex with roscovitine
Descriptor: Homo sapiens cyclin-dependent kinase 2, R-ROSCOVITINE
Authors:De Azevedo Jr, W.F, Kim, S.H.
Deposit date:2005-06-29
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of cyclin-dependent kinases by purine analogues: crystal structure of human cdk2 complexed with roscovitine.
Eur.J.Biochem., 243, 1997
5WOC
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BU of 5woc by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: (3-methylphenyl)methanol, SER-PRO-GLU-GLU-ARG-ALA-GLN-LEU-CYS-THR-ALA-ALA-GLU-LYS-ALA-ASP-GLU-LEU-GLY
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6HEG
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BU of 6heg by Molmil
Crystal structure of Escherichia coli DEAH/RHA helicase HrpB
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpB, PHOSPHATE ION, ...
Authors:Xin, B.G, Chen, W.F, Rety, S, Dai, Y.X, Xi, X.G.
Deposit date:2018-08-20
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.019 Å)
Cite:Crystal structure of Escherichia coli DEAH/RHA helicase HrpB.
Biochem. Biophys. Res. Commun., 504, 2018
4LES
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BU of 4les by Molmil
2.2 Angstrom Crystal Structure of Conserved Hypothetical Protein from Bacillus anthracis.
Descriptor: CHLORIDE ION, ETHANOL, PHOSPHATE ION, ...
Authors:Minasov, G, Wawrzak, Z, Filippova, E, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-06-26
Release date:2013-08-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 Angstrom Crystal Structure of Conserved Hypothetical Protein from Bacillus anthracis.
TO BE PUBLISHED
6PKW
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BU of 6pkw by Molmil
Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C2 symmetry (pseudo C4 symmetry)
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y.
Deposit date:2019-06-30
Release date:2019-08-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
4MBR
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BU of 4mbr by Molmil
3.65 Angstrom Crystal Structure of Serine-rich Repeat Protein (Srr2) from Streptococcus agalactiae
Descriptor: Serine-rich repeat protein 2
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Seo, H.S, Seepersaud, R, Doran, K.S, Iverson, T.M, Sullam, P.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-08-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Characterization of Fibrinogen Binding by Glycoproteins Srr1 and Srr2 of Streptococcus agalactiae.
J.Biol.Chem., 288, 2013
6PKV
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BU of 6pkv by Molmil
Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C4 symmetry
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y.
Deposit date:2019-06-30
Release date:2019-08-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
1QTX
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BU of 1qtx by Molmil
THE 1.65 ANGSTROM STRUCTURE OF CALMODULIN RS20 PEPTIDE COMPLEX
Descriptor: CALCIUM ION, PROTEIN (CALMODULIN), PROTEIN (RS20)
Authors:Weigand, S, Anderson, W.F.
Deposit date:1999-06-29
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High Resolution Structure of a Calmodulin Rs20 Peptide Complex
To be Published
1QS7
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BU of 1qs7 by Molmil
The 1.8 angstrom structure of calmodulin rs20 peptide complex
Descriptor: CALCIUM ION, CALMODULIN, RS20
Authors:Weigand, S, Anderson, W.F.
Deposit date:1999-06-25
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High Resolution Structure of a Calmodulin Rs20 Peptide Complex
To be Published
4D0Z
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BU of 4d0z by Molmil
GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset)
Descriptor: (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D11
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BU of 4d11 by Molmil
GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset)
Descriptor: 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-05-01
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
2A3D
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BU of 2a3d by Molmil
SOLUTION STRUCTURE OF A DE NOVO DESIGNED SINGLE CHAIN THREE-HELIX BUNDLE (A3D)
Descriptor: PROTEIN (DE NOVO THREE-HELIX BUNDLE)
Authors:Walsh, S.T.R, Cheng, H, Bryson, J.W, Roder, H, Degrado, W.F.
Deposit date:1999-04-01
Release date:1999-05-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure and dynamics of a de novo designed three-helix bundle protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
2KQT
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BU of 2kqt by Molmil
Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in DMPC lipid bilayers bound to deuterated amantadine
Descriptor: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, M2 protein
Authors:Cady, S.D, Schmidt-Rohr, K, Wang, J, Soto, C.S, DeGrado, W.F, Hong, M.
Deposit date:2009-11-18
Release date:2010-02-09
Last modified:2024-05-08
Method:SOLID-STATE NMR
Cite:Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers
Nature, 463, 2010
2AQH
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BU of 2aqh by Molmil
Crystal structure of Isoniazid-resistant I21V Enoyl-ACP(CoA) reductase mutant enzyme from Mycobacterium tuberculosis in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Oliveira, J.S, Pereira, J.H, Rodrigues, N.C, Canduri, F, de Souza, O.N, Basso, L.A, de Azevedo Jr, W.F, Santos, D.S.
Deposit date:2005-08-18
Release date:2006-05-23
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystallographic and Pre-steady-state Kinetics Studies on Binding of NADH to Wild-type and Isoniazid-resistant Enoyl-ACP(CoA) Reductase Enzymes from Mycobacterium tuberculosis.
J.Mol.Biol., 359, 2006
9ILD
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BU of 9ild by Molmil
Complex structure of Cap3 and CD-NTase
Descriptor: Cyclic GMP-AMP synthase, Peptidase, ZINC ION
Authors:Li, F.Q, Ma, W.F.
Deposit date:2024-06-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.179 Å)
Cite:Structural and functional characterization of the bacterial Cap3 enzyme in deconjugation and regulation of the cyclic dinucleotide transferase CD-NTase
To Be Published
1AVP
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BU of 1avp by Molmil
STRUCTURE OF HUMAN ADENOVIRUS 2 PROTEINASE WITH ITS 11 AMINO ACID COFACTOR
Descriptor: ADENOVIRAL PROTEINASE
Authors:Ding, J, Mcgrath, W.J, Sweet, R.M, Mangel, W.F.
Deposit date:1996-04-04
Release date:1997-11-19
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the human adenovirus proteinase with its 11 amino acid cofactor.
EMBO J., 15, 1996
8BNS
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BU of 8bns by Molmil
Crystal structure of Pif1 from Sulfurihydrogenibium sp in complex with ADP
Descriptor: AAA ATPase, ADENOSINE-5'-DIPHOSPHATE
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-11-14
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
3AL1
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BU of 3al1 by Molmil
DESIGNED PEPTIDE ALPHA-1, RACEMIC P1BAR FORM
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOLAMINE, PROTEIN (D, ...
Authors:Patterson, W.R, Anderson, D.H, Degrado, W.F, Cascio, D, Eisenberg, D.
Deposit date:1998-10-26
Release date:1998-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.75 Å)
Cite:Centrosymmetric bilayers in the 0.75 A resolution structure of a designed alpha-helical peptide, D,L-Alpha-1.
Protein Sci., 8, 1999
6US9
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BU of 6us9 by Molmil
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
Descriptor: CHLORIDE ION, Matrix protein 2, RIMANTADINE
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
6US8
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BU of 6us8 by Molmil
Influenza A M2 proton channel wild type TM domain bound to S-rimantadine
Descriptor: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
1U7J
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BU of 1u7j by Molmil
Solution structure of a diiron protein model
Descriptor: Four-helix bundle model, ZINC ION
Authors:Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
Deposit date:2004-08-04
Release date:2005-03-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
1U7M
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BU of 1u7m by Molmil
Solution structure of a diiron protein model: Due Ferri(II) turn mutant
Descriptor: Four-helix bundle model, ZINC ION
Authors:Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
Deposit date:2004-08-04
Release date:2005-03-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
1QGM
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BU of 1qgm by Molmil
THE SOLUTION STRUCTURE OF A 30 RESIDUE AMINO-TERMINAL DOMAIN OF THE CARP GRANULIN-1 PROTEIN.
Descriptor: PROTEIN (AMINO-TERMINAL CARP GRANULIN-1)
Authors:Vranken, W.F, Xu, P, Ni, F.
Deposit date:1999-05-01
Release date:1999-12-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A 30-residue fragment of the carp granulin-1 protein folds into a stack of two beta-hairpins similar to that found in the native protein.
J.Pept.Res., 53, 1999
3KBO
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BU of 3kbo by Molmil
2.14 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium in Complex with NADP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Glyoxylate/hydroxypyruvate reductase A, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-10-20
Release date:2009-10-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:2.14 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium in Complex with NADP.
To be Published
3KHY
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BU of 3khy by Molmil
Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4
Descriptor: Propionate kinase
Authors:Brunzelle, J.S, Skarina, T, Sharma, S, Wang, Y, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-10-31
Release date:2010-01-19
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4
To be Published

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