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7AJI
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BU of 7aji by Molmil
bovine ATP synthase dimer state3:state2
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (11.4 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJG
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BU of 7ajg by Molmil
bovine ATP synthase dimer state2:state3
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (10.7 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AHB
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BU of 7ahb by Molmil
Acyltransferase domain of the polyketide synthase PpsC of Mycobacterium tuberculosis
Descriptor: GLYCEROL, Phthiocerol synthesis polyketide synthase type I PpsC, SODIUM ION, ...
Authors:Faille, A, Mourey, L, Pedelacq, J.D.
Deposit date:2020-09-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases.
Acs Chem.Biol., 15, 2020
4H3J
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BU of 4h3j by Molmil
Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile
Descriptor: 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-10-17
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H3F
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BU of 4h3f by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
1JLU
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BU of 1jlu by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent
Descriptor: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
Authors:Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
Deposit date:2001-07-16
Release date:2001-08-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
4H3I
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BU of 4h3i by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
2VIJ
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BU of 2vij 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-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide
Descriptor: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Authors:Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
Deposit date:2007-12-04
Release date:2008-01-29
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
8J7E
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BU of 8j7e by Molmil
Crystal structure of BRIL in complex with 1b3 Fab
Descriptor: Antibody 1b3 Fab Heavy chain, Antibody 1b3 Fab Light chain, Soluble cytochrome b562
Authors:Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-04-27
Release date:2023-09-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
7VDV
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BU of 7vdv by Molmil
The overall structure of human chromatin remodeling PBAF-nucleosome complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2,AT-rich interactive domain-containing protein 2, Actin, ...
Authors:Chen, Z.C, Chen, K.J, Yuan, J.J.
Deposit date:2021-09-07
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of human chromatin-remodelling PBAF complex bound to a nucleosome.
Nature, 605, 2022
3TRA
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BU of 3tra by Molmil
RESTRAINED REFINEMENT OF TWO CRYSTALLINE FORMS OF YEAST ASPARTIC ACID AND PHENYLALANINE TRANSFER RNA CRYSTALS
Descriptor: MAGNESIUM ION, TRNAASP
Authors:Westhof, E, Dumas, P, Moras, D.
Deposit date:1987-11-06
Release date:1987-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Restrained refinement of two crystalline forms of yeast aspartic acid and phenylalanine transfer RNA crystals.
Acta Crystallogr.,Sect.A, 44, 1988
7ICF
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BU of 7icf by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CDCL2 (0.1 MILLIMOLAR) (FOUR-DAY SOAK)
Descriptor: CADMIUM ION, DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICP
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BU of 7icp by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF ZNCL2 (0.01 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
8IYI
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BU of 8iyi by Molmil
Spermidine synthase from Kluyveromyces lactis
Descriptor: KLLA0B09372p
Authors:Kim, S, Chang, J.H.
Deposit date:2023-04-05
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Spermidine Synthase from Kluyveromyces lactis.
Molecules, 28, 2023
7ICL
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BU of 7icl by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (0.1 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
7ICG
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BU of 7icg by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF CDCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-04-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICV
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BU of 7icv by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (0.1 MILLIMOLAR) AND IN THE ABSENCE OF NACL
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-10-24
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
7ICQ
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BU of 7icq by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF ZNCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-04-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
Descriptor: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
7ICK
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BU of 7ick by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF MGCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-04-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICU
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BU of 7icu by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CDCL2 (0.1 MILLIMOLAR)
Descriptor: CADMIUM ION, DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
8IWL
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BU of 8iwl by Molmil
A.baumannii Uncharacterized sugar kinase ydjH
Descriptor: Uncharacterized sugar kinase YdjH
Authors:Lee, G.H, Park, H.H.
Deposit date:2023-03-30
Release date:2023-05-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure of YdjH from Acinetobacter baumannii revealed an active site of YdjH family sugar kinase.
Biochem.Biophys.Res.Commun., 664, 2023
7ICJ
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BU of 7icj by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CUCL2 (0.1 MILLIMOLAR)
Descriptor: COPPER (II) ION, DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*G)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICT
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BU of 7ict by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF ZNCL2 AND MGCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
1RMZ
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BU of 1rmz by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Conformational variability of matrix metalloproteinases: beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005

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