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2VMH
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BU of 2vmh by Molmil
The structure of CBM51 from Clostridium perfringens GH95
Descriptor: CALCIUM ION, FIBRONECTIN TYPE III DOMAIN PROTEIN
Authors:Gregg, K, Finn, R, Abbott, D.W, Boraston, A.B.
Deposit date:2008-01-25
Release date:2008-02-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008
7ZDB
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BU of 7zdb by Molmil
IF(heme/bound) conformation of CydDC in ADP+Pi(CydC)/ATP(CydD) bound state (Dataset-2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDG
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BU of 7zdg by Molmil
IF(heme/confined) conformation of CydDC (Dataset-5)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZEC
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BU of 7zec by Molmil
IF(heme/confined) conformation of CydDC in ATP(CydD) bound state (Dataset-15)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDW
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BU of 7zdw by Molmil
IF(heme/confined) conformation of CydDC mutant (E500Q.C) in AMP-PNP(CydD) bound state (Dataset-22)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDL
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BU of 7zdl by Molmil
IF(heme/coordinated) conformation of CydDC in AMP-PNP(CydC)/AMP-PNP(CydD) bound state (Dataset-8)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDC
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BU of 7zdc by Molmil
IF(heme/confined) conformation of CydDC in ADP(CydD) bound state (Dataset-3)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7AJV
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BU of 7ajv by Molmil
Structure of DYRK1A in complex with compound 38
Descriptor: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-29
Release date:2021-05-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
1S8O
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BU of 1s8o by Molmil
Human soluble Epoxide Hydrolase
Descriptor: HEXAETHYLENE GLYCOL, epoxide hydrolase 2, cytoplasmic
Authors:Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W.
Deposit date:2004-02-03
Release date:2004-04-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis
Biochemistry, 43, 2004
1SIV
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BU of 1siv by Molmil
THREE-DIMENSIONAL STRUCTURE OF A SIV PROTEASE(SLASH)INHIBITOR COMPLEX. IMPLICATIONS FOR THE DESIGN OF HIV-1 AND HIV-2 PROTEASE INHIBITORS
Descriptor: SIV PROTEASE, methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate
Authors:Zhao, B, Abdel-Meguid, S.
Deposit date:1993-08-24
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of a simian immunodeficiency virus protease/inhibitor complex. Implications for the design of human immunodeficiency virus type 1 and 2 protease inhibitors.
Biochemistry, 32, 1993
1IZA
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BU of 1iza by Molmil
ROLE OF B13 GLU IN INSULIN ASSEMBLY: THE HEXAMER STRUCTURE OF RECOMBINANT MUTANT (B13 GLU-> GLN) INSULIN
Descriptor: INSULIN
Authors:Xiao, B, Dodson, G.G.
Deposit date:1992-10-16
Release date:1993-10-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Role of B13 Glu in insulin assembly. The hexamer structure of recombinant mutant (B13 Glu-->Gln) insulin.
J.Mol.Biol., 228, 1992
1SQS
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BU of 1sqs by Molmil
X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR27.
Descriptor: L(+)-TARTARIC ACID, conserved hypothetical protein
Authors:Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-03-19
Release date:2004-03-30
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM, 8, 2007
3LVH
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BU of 3lvh by Molmil
Crystal structure of a clathrin heavy chain and clathrin light chain complex
Descriptor: Clathrin heavy chain 1, Clathrin light chain B
Authors:Wilbur, J.D, Hwang, P.K, Ybe, J.A, Lane, M, Sellers, B.D, Jacobson, M.P, Fletterick, R.J, Brodsky, F.M.
Deposit date:2010-02-20
Release date:2010-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (9 Å)
Cite:Conformation switching of clathrin light chain regulates clathrin lattice assembly.
Dev.Cell, 18, 2010
2BI1
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BU of 2bi1 by Molmil
Radiation damage of the Schiff base in phosphoserine aminotransferase (structure B)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Dubnovitsky, A.P, Ravelli, R.B.G, Popov, A.N, Papageorgiou, A.C.
Deposit date:2005-01-20
Release date:2005-05-19
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Strain Relief at the Active Site of Phosphoserine Aminotransferase Induced by Radiation Damage.
Protein Sci., 14, 2005
3MEE
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BU of 3mee by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC278
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
Authors:Lansdon, E.B.
Deposit date:2010-03-31
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
6A8M
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BU of 6a8m by Molmil
N-terminal domain of FACT complex subunit SPT16 from Eremothecium gossypii (Ashbya gossypii)
Descriptor: FACT complex subunit SPT16
Authors:Gaur, N.K, Are, V.N, Durani, V, Ghosh, B, Kumar, A, Kulkarni, K, Makde, R.D.
Deposit date:2018-07-09
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of 'peptidase' domain of Spt16.
J.Biomol.Struct.Dyn., 2021
3MEG
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BU of 3meg by Molmil
HIV-1 K103N Reverse Transcriptase in Complex with TMC278
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
Authors:Lansdon, E.B.
Deposit date:2010-03-31
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
2TMP
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BU of 2tmp by Molmil
N-TERMINAL DOMAIN OF TISSUE INHIBITOR OF METALLOPROTEINASE-2 (N-TIMP-2), NMR, 49 STRUCTURES
Descriptor: TISSUE INHIBITOR OF METALLOPROTEINASES-2
Authors:Muskett, F.W, Frenkiel, T.A, Feeney, J, Freedman, R.B, Carr, M.D, Williamson, R.A.
Deposit date:1998-05-26
Release date:1998-12-09
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:High resolution structure of the N-terminal domain of tissue inhibitor of metalloproteinases-2 and characterization of its interaction site with matrix metalloproteinase-3.
J.Biol.Chem., 273, 1998
3MEC
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BU of 3mec by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC125
Descriptor: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, SULFATE ION, p51 Reverse transcriptase, ...
Authors:Lansdon, E.B.
Deposit date:2010-03-31
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
1SNJ
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BU of 1snj by Molmil
Solution structure of the DNA three-way junction with the A/C-stacked conformation
Descriptor: 36-MER
Authors:Wu, B, Girard, F, van Buuren, B, Schleucher, J, Tessari, M, Wijmenga, S.
Deposit date:2004-03-11
Release date:2005-04-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Global structure of a DNA three-way junction by solution NMR: towards prediction of 3H fold.
Nucleic Acids Res., 32, 2004
7ZWQ
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BU of 7zwq by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 10
Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ...
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
8H2R
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BU of 8h2r by Molmil
Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant CP52-53
Descriptor: Heat-labile enterotoxin IIB, B chain
Authors:Hsu, S.H, Yuan, Y.T, Sue, S.C.
Deposit date:2022-10-06
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant CP52-53
To Be Published
7ZWW
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BU of 7zww by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 18
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one, B-cell lymphoma 6 protein
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWT
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BU of 7zwt by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 14
Descriptor: 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ...
Authors:Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
3MMG
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BU of 3mmg by Molmil
Crystal structure of tobacco vein mottling virus protease
Descriptor: FORMIC ACID, Nuclear inclusion protein A, Nuclear inclusion protein B fragment
Authors:Ping, S, Austin, B.P, Tozser, J, Waugh, D.S.
Deposit date:2010-04-19
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural determinants of tobacco vein mottling virus protease substrate specificity.
Protein Sci., 19, 2010

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