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HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
Descriptor:	3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
Authors:	Harris, S.F, Villasenor, A.
Deposit date:	2008-07-30
Release date:	2008-11-25
Last modified:	2024-02-21
Method:	X-RAY DIFFRACTION (2.95 Å)
Cite:	Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase J.Med.Chem., 51, 2008

6O2E

GCN4 with asparagine at position 18
Descriptor:	General control protein GCN4
Authors:	Draper, S.R.E, Xiao, Q, Smith, M, Price, J.L.
Deposit date:	2019-02-22
Release date:	2019-06-26
Last modified:	2019-12-18
Method:	X-RAY DIFFRACTION (1.896 Å)
Cite:	Influence of PEGylation on the Strength of Protein Surface Salt Bridges. Acs Chem.Biol., 14, 2019

6O2F

GCN4 with NPEG4 at position 18
Descriptor:	General control protein GCN4
Authors:	Draper, S.R.E, Xiao, Q, Smith, M, Price, J.L.
Deposit date:	2019-02-22
Release date:	2019-06-26
Last modified:	2019-12-18
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Influence of PEGylation on the Strength of Protein Surface Salt Bridges. Acs Chem.Biol., 14, 2019

1IRW

CYTOCHROME C ISOZYME 1, REDUCED, MUTANT WITH ASN 52 REPLACED BY ALA AND CYS 102 REPLACED BY THR
Descriptor:	CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:	Berghuis, A.M, Brayer, G.D.
Deposit date:	1996-06-27
Release date:	1997-01-11
Last modified:	2021-11-03
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Mechanistic and structural contributions of critical surface and internal residues to cytochrome c electron transfer reactivity. Biochemistry, 35, 1996

8F5W

Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically
Descriptor:	1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:	Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
Deposit date:	2022-11-15
Release date:	2023-02-01
Last modified:	2023-10-25
Method:	X-RAY DIFFRACTION (1.97 Å)
Cite:	Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes. Arch.Biochem.Biophys., 736, 2023

8F6N

Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically
Descriptor:	Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:	Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
Deposit date:	2022-11-16
Release date:	2023-02-01
Last modified:	2023-10-25
Method:	X-RAY DIFFRACTION (2.12 Å)
Cite:	Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes. Arch.Biochem.Biophys., 736, 2023

8F61

Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine Quasi-Anaerobically
Descriptor:	(5S)-5-methyl-1,3-diazinane-2,4-dione, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], ...
Authors:	Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
Deposit date:	2022-11-15
Release date:	2023-02-01
Last modified:	2023-10-25
Method:	X-RAY DIFFRACTION (2.14 Å)
Cite:	Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes. Arch.Biochem.Biophys., 736, 2023

1HSY

ORIGIN OF THE PH-DEPENDENT SPECTROSCOPIC PROPERTIES OF PENTACOORDINATE METMYOGLOBIN VARIANTS
Descriptor:	MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:	Maurus, R, Brayer, G.D.
Deposit date:	1994-12-12
Release date:	1995-02-27
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Origin of the pH-dependent spectroscopic properties of pentacoordinate metmyoglobin variants. Biochemistry, 34, 1995

1IRV

CYTOCHROME C ISOZYME 1, REDUCED, MUTANT WITH ILE 75 REPLACED BY MET AND CYS 102 REPLACED BY THR
Descriptor:	CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:	Berghuis, A.M, Brayer, G.D.
Deposit date:	1996-06-27
Release date:	1997-01-11
Last modified:	2021-11-03
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Mechanistic and structural contributions of critical surface and internal residues to cytochrome c electron transfer reactivity. Biochemistry, 35, 1996

1YMA

STRUCTURAL CHARACTERIZATION OF HEME LIGATION IN THE HIS64-->TYR VARIANT OF MYOGLOBIN
Descriptor:	MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:	Maurus, R, Brayer, G.D.
Deposit date:	1993-09-27
Release date:	1994-01-31
Last modified:	2024-02-14
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Structural characterization of heme ligation in the His64-->Tyr variant of myoglobin. J.Biol.Chem., 269, 1994

1NZ4

The horse heart myoglobin variant K45E/K63E complexed with Cadmium
Descriptor:	CADMIUM ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:	Hunter, C.L, Maurus, R, Mauk, M.R, Lee, H, Raven, E.L, Tong, H, Nguyen, N, Smith, S, Brayer, G.D, Mauk, A.G.
Deposit date:	2003-02-15
Release date:	2003-04-08
Last modified:	2024-02-14
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Introduction and characterization of a functionally linked metal ion binding site at the exposed heme edge of myoglobin Proc.Natl.Acad.Sci.USA, 100, 2003

1DV9

STRUCTURAL CHANGES ACCOMPANYING PH-INDUCED DISSOCIATION OF THE B-LACTOGLOBULIN DIMER
Descriptor:	BETA-LACTOGLOBULIN
Authors:	Uhrinova, S, Smith, M.H, Jameson, G.B, Uhrin, D, Sawyer, L, Barlow, P.N.
Deposit date:	2000-01-20
Release date:	2000-02-09
Last modified:	2022-02-16
Method:	SOLUTION NMR
Cite:	Structural changes accompanying pH-induced dissociation of the beta-lactoglobulin dimer. Biochemistry, 39, 2000

5I97

Structural analysis and inhibition of TraE from the pKM101 type IV secretion system
Descriptor:	Conjugal transfer protein
Authors:	Casu, B, Sygusch, J, Baron, C.
Deposit date:	2016-02-19
Release date:	2016-09-28
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.441 Å)
Cite:	Structural Analysis and Inhibition of TraE from the pKM101 Type IV Secretion System. J.Biol.Chem., 291, 2016

1CSX

REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
Descriptor:	CYTOCHROME C, HEME C, SULFATE ION
Authors:	Lo, T.P, Brayer, G.D.
Deposit date:	1994-10-04
Release date:	1995-01-26
Last modified:	2021-03-10
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c. Protein Sci., 4, 1995

1CSV

REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
Descriptor:	CYTOCHROME C, HEME C, SULFATE ION
Authors:	Lo, T.P, Brayer, G.D.
Deposit date:	1994-10-04
Release date:	1995-01-26
Last modified:	2021-03-10
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c. Protein Sci., 4, 1995

1CSW

REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
Descriptor:	CYTOCHROME C, HEME C, SULFATE ION
Authors:	Lo, T.P, Brayer, G.D.
Deposit date:	1994-10-04
Release date:	1995-01-26
Last modified:	2021-03-10
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c. Protein Sci., 4, 1995

1CSU

REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
Descriptor:	CYTOCHROME C, HEME C, SULFATE ION
Authors:	Lo, T.P, Brayer, G.D.
Deposit date:	1994-10-04
Release date:	1995-01-26
Last modified:	2021-03-10
Method:	X-RAY DIFFRACTION (1.81 Å)
Cite:	Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c. Protein Sci., 4, 1995

1HRM

THE PROXIMAL LIGAND VARIANT HIS93TYR OF HORSE HEART MYOGLOBIN
Descriptor:	MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:	Burk, D.L, Brayer, G.D.
Deposit date:	1994-09-21
Release date:	1995-01-26
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	The proximal ligand variant His93Tyr of horse heart myoglobin. Biochemistry, 34, 1995

1BJE

H64T VARIANT OF MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE COMPLEXED WITH AZIDE
Descriptor:	AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:	Maurus, R, Brayer, G.D.
Deposit date:	1997-10-18
Release date:	1998-01-28
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Structural and spectroscopic studies of azide complexes of horse heart myoglobin and the His-64-->Thr variant. Biochem.J., 332, 1998

2BPA

ATOMIC STRUCTURE OF SINGLE-STRANDED DNA BACTERIOPHAGE PHIX174 AND ITS FUNCTIONAL IMPLICATIONS
Descriptor:	DNA (5'-D(APAPAPAP*C)-3'), PROTEIN (SUBUNIT OF BACTERIOPHAGE PHIX174)
Authors:	McKenna, R, Xia, D, Willingmann, P, Ilag, L.L, Krishnaswamy, S, Rossmann, M.G, Olson, N.H, Baker, T.S, Incardona, N.L.
Deposit date:	1991-12-03
Release date:	1991-12-03
Last modified:	2024-02-14
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Atomic structure of single-stranded DNA bacteriophage phi X174 and its functional implications. Nature, 355, 1992

2G78

Crystal Structure of the R132K:Y134F Mutant of Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans-Retinoic Acid at 1.70 Angstroms Resolution
Descriptor:	Cellular retinoic acid-binding protein 2, RETINOIC ACID, SODIUM ION
Authors:	Vaezeslami, S, Geiger, J.H.
Deposit date:	2006-02-27
Release date:	2007-04-17
Last modified:	2024-02-14
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Protein design: reengineering cellular retinoic acid binding protein II into a rhodopsin protein mimic. J.Am.Chem.Soc., 129, 2007

2G7B

Crystal Structure of the R132K:R111L:L121E mutant of Cellular Retinoic Acid Binding Protein Type II In Complex With All-Trans-Retinal At 1.18 Angstroms Resolution
Descriptor:	ALL-TRANS AXEROPHTHENE, Cellular retinoic acid-binding protein 2, SODIUM ION
Authors:	Vaezeslami, S, Geiger, J.H.
Deposit date:	2006-02-27
Release date:	2007-04-17
Last modified:	2021-10-20
Method:	X-RAY DIFFRACTION (1.18 Å)
Cite:	Protein design: reengineering cellular retinoic acid binding protein II into a rhodopsin protein mimic. J.Am.Chem.Soc., 129, 2007

3S2O

Fragment based discovery and optimisation of bace-1 inhibitors
Descriptor:	(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide, Beta-secretase 1, IODIDE ION
Authors:	Madden, J, Godemann, R, Smith, M.A, Hallett, D, Barker, J, Kraemer, J.
Deposit date:	2011-05-17
Release date:	2011-06-01
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (2.6 Å)
Cite:	Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010

2G79

Crystal Structure of the R132K:Y134F Mutant of Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans-Retinal at 1.69 Angstroms Resolution
Descriptor:	Cellular retinoic acid-binding protein 2, RETINAL, SODIUM ION, ...
Authors:	Vaezeslami, S, Geiger, J.H.
Deposit date:	2006-02-27
Release date:	2007-04-17
Last modified:	2024-02-14
Method:	X-RAY DIFFRACTION (1.69 Å)
Cite:	Protein design: reengineering cellular retinoic acid binding protein II into a rhodopsin protein mimic. J.Am.Chem.Soc., 129, 2007

1CRH

THE ROLE OF A CONSERVED INTERNAL WATER MOLECULE AND ITS ASSOCIATED HYDROGEN BOND NETWORK IN CYTOCHROME C
Descriptor:	CYTOCHROME C, HEME C, SULFATE ION
Authors:	Berghuis, A.M, Brayer, G.D.
Deposit date:	1993-08-06
Release date:	1994-01-31
Last modified:	2021-03-03
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	The role of a conserved internal water molecule and its associated hydrogen bond network in cytochrome c. J.Mol.Biol., 236, 1994

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