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1HSG
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BU of 1hsg by Molmil
CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
Descriptor: HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Authors:Chen, Z.
Deposit date:1995-03-31
Release date:1996-04-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
1PWV
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BU of 1pwv by Molmil
Crystal structure of Anthrax Lethal Factor wild-type protein complexed with an optimised peptide substrate.
Descriptor: LF20, Lethal factor
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-02-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
1PWU
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BU of 1pwu by Molmil
Crystal Structure of Anthrax Lethal Factor complexed with (3-(N-hydroxycarboxamido)-2-isobutylpropanoyl-Trp-methylamide), a known small molecule inhibitor of matrix metalloproteases.
Descriptor: 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, Lethal factor, ZINC ION
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-02-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
1E9M
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BU of 1e9m by Molmil
Ferredoxin VI from Rhodobacter Capsulatus
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN VI
Authors:Sainz, G, Armengaud, J, Stojanoff, V, Sanishvili, N, Jouanneau, Y, Larry, S.
Deposit date:2000-10-24
Release date:2001-04-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystallization and Preliminary X-Ray Diffraction Analysis of a [2Fe-2S] Ferredoxin (Fdvi) from Rhodobacter Capsulatus
Acta Crystallogr.,Sect.D, 57, 2001
1PWW
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BU of 1pww by Molmil
Crystal structure of Anthrax Lethal Factor active site mutant protein complexed with an optimised peptide substrate in the presence of zinc.
Descriptor: LF20, Lethal factor, ZINC ION
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-01-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
1R57
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BU of 1r57 by Molmil
NMR Solution Structure of a GCN5-like putative N-acetyltransferase from Staphylococcus aureus. Northeast Structural Genomics Consortium Target ZR31
Descriptor: conserved hypothetical protein
Authors:Cort, J.R, Acton, T.B, Ma, L, Xiao, R.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-10-09
Release date:2004-03-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5-related N-acetyltransferase-like proteins.
J.STRUCT.FUNCT.GENOM., 9, 2008
1HSH
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BU of 1hsh by Molmil
CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
Descriptor: HIV-II PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Authors:Chen, Z.
Deposit date:1995-03-31
Release date:1996-04-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
1HPC
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BU of 1hpc by Molmil
REFINED STRUCTURES AT 2 ANGSTROMS AND 2.2 ANGSTROMS OF THE TWO FORMS OF THE H-PROTEIN, A LIPOAMIDE-CONTAINING PROTEIN OF THE GLYCINE DECARBOXYLASE
Descriptor: 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid, H PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM, LIPOIC ACID
Authors:Pares, S, Cohen-Addad, C, Sieker, L, Neuburger, M, Douce, R.
Deposit date:1994-02-17
Release date:1995-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structures at 2 and 2.2 A resolution of two forms of the H-protein, a lipoamide-containing protein of the glycine decarboxylase complex.
Acta Crystallogr.,Sect.D, 51, 1995
1RYF
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BU of 1ryf by Molmil
Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ras-related C3 botulinum toxin substrate 1 isoform Rac1b
Authors:Ahmadian, M.R, Fiegen, D.
Deposit date:2003-12-22
Release date:2004-01-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
J.Biol.Chem., 279, 2004
2ISP
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BU of 2isp by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-methylene triphosphate
Descriptor: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
Deposit date:2006-10-18
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
2IEE
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BU of 2iee by Molmil
Crystal Structure of YCKB_BACSU from Bacillus subtilis. Northeast Structural Genomics Consortium target SR574.
Descriptor: Probable ABC transporter extracellular-binding protein yckB
Authors:Kuzin, A.P, Su, M, Jayaraman, S, Chen, X.C, Jang, M, Cunningham, K, Ma, C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-18
Release date:2006-10-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of probable ABC transporter extracellular-binding protein yckB from Bacillus subtilis.
To be Published
2IN2
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BU of 2in2 by Molmil
NMR Structure of the Apo Human Rhinovirus 3C Protease (serotype 14)
Descriptor: Picornain 3C
Authors:Bjorndahl, T.C, Semenchenko, V, Wishart, D.S.
Deposit date:2006-10-05
Release date:2006-10-24
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR solution structures of the apo and peptide-inhibited human rhinovirus 3C protease (Serotype 14): structural and dynamic comparison.
Biochemistry, 46, 2007
6M4G
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BU of 6m4g by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
Descriptor: DNA (93-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ...
Authors:Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
Deposit date:2020-03-06
Release date:2020-09-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
1DCD
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BU of 1dcd by Molmil
DESULFOREDOXIN COMPLEXED WITH CD2+
Descriptor: CADMIUM ION, PROTEIN (DESULFOREDOXIN)
Authors:Archer, M, Carvalho, A.L, Teixeira, S, Romao, M.J.
Deposit date:1999-03-20
Release date:1999-07-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein.
Protein Sci., 8, 1999
1DE7
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BU of 1de7 by Molmil
INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX
Descriptor: ALPHA-THROMBIN (HEAVY CHAIN), ALPHA-THROMBIN (LIGHT CHAIN), FACTOR XIII ACTIVATION PEPTIDE (28-37), ...
Authors:Sadasivan, C, Yee, V.C.
Deposit date:1999-11-13
Release date:2000-12-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of the factor XIII activation peptide with alpha -thrombin. Crystal structure of its enzyme-substrate analog complex.
J.Biol.Chem., 275, 2000
8UNH
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BU of 8unh by Molmil
Cryo-EM structure of T4 Bacteriophage Clamp Loader with Sliding Clamp
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sliding clamp, ...
Authors:Huang, Y, Marcus, K, Subramanian, S, Gee, L.C, Gorday, K, Ghaffari-Kashani, S, Luo, X, Zhang, L, O'Donnell, M, Subramanian, S, Kuriyan, J.
Deposit date:2023-10-19
Release date:2023-12-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
8UNF
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BU of 8unf by Molmil
Cryo-EM structure of T4 Bacteriophage Clamp Loader with Sliding Clamp and DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Sliding clamp, ...
Authors:Huang, Y, Marcus, K, Subramanian, S, Gee, L.C, Gorday, K, Ghaffari-Kashani, S, Luo, X, Zhang, L, O'Donnell, M, Subramanian, S, Kuriyan, J.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
6M4D
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BU of 6m4d by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
Descriptor: DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ...
Authors:Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
Deposit date:2020-03-06
Release date:2020-09-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
2ISO
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BU of 2iso by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-difluoromethylene triphosphate
Descriptor: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
Deposit date:2006-10-18
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
2GP9
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BU of 2gp9 by Molmil
Crystal structure of the slow form of thrombin in a self-inhibited conformation
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Prothrombin
Authors:Pineda, A, Chen, Z, Mathews, F.S, Di Cera, E.
Deposit date:2006-04-17
Release date:2006-09-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of thrombin in a self-inhibited conformation.
J.Biol.Chem., 281, 2006
2H7W
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BU of 2h7w by Molmil
Crystal structure of Chagasin, the endogenous cysteine-protease inhibitor from Trypanosoma cruzi
Descriptor: Chagasin
Authors:Figueiredo da Silva, A.A, Guimaraes, B.G.
Deposit date:2006-06-05
Release date:2006-10-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of chagasin, the endogenous cysteine-protease inhibitor from Trypanosoma cruzi.
J.Struct.Biol., 157, 2007
2GTN
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BU of 2gtn by Molmil
Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717
Descriptor: 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M.
Deposit date:2006-04-28
Release date:2006-07-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
2I78
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BU of 2i78 by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor
Descriptor: (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE, Dipeptidyl peptidase IV
Authors:Longenecker, K.L, Pei, Z, Li, X.
Deposit date:2006-08-30
Release date:2007-10-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Cyclohexene-constrained Phenethylamine ABT-341, a Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-generation Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
To be Published
2HOG
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BU of 2hog by Molmil
crystal structure of Chek1 in complex with inhibitor 20
Descriptor: (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1
Authors:Yan, Y, Ikuta, M.
Deposit date:2006-07-14
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006
2H5M
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BU of 2h5m by Molmil
NMR Solution Structure of a GCN5-like putative N-acetyltransferase from Staphylococcus aureus complexed with acetyl-CoA. Northeast Structural Genomics Consortium Target ZR31
Descriptor: ACETYL COENZYME *A, Acetyltransferase, GNAT family
Authors:Cort, J.R, Ramelot, T.A, Acton, T.B, Ma, L, Xiao, R.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-26
Release date:2006-11-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5-related N-acetyltransferase-like proteins
J.Struct.Funct.Genom., 9, 2008

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