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5IF0
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BU of 5if0 by Molmil
Crystal structure of VRC01c-HuGL2 Fab from an HIV-1 naive donor in complex with with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.44 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, PHOSPHATE ION, ...
Authors:Sarkar, A, Wilson, I.A.
Deposit date:2016-02-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
5I7F
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BU of 5i7f by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT405
Descriptor: 5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-17
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I43
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BU of 5i43 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32).
Descriptor: (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-11
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
3IT8
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BU of 3it8 by Molmil
Crystal structure of TNF alpha complexed with a poxvirus MHC-related TNF binding protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2L protein, Tumor necrosis factor
Authors:Yang, Z, West Jr, A.P, Bjorkman, P.J.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of TNFalpha complexed with a poxvirus MHC-related TNF binding protein
Nat.Struct.Mol.Biol., 16, 2009
4XY7
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BU of 4xy7 by Molmil
Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N-acetylglucosamine at 2.5 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein
Authors:Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-02-02
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N- acetylglucosamine at 2.5 A resolution
To Be Published
4XYK
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BU of 4xyk by Molmil
Crystal structure of human phosphofructokinase-1 in complex with ADP, Northeast Structural Genomics Consortium Target HR9275
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, platelet type, ...
Authors:Forouhar, F, Webb, B.A, Szu, F.-E, Seetharaman, J, Barber, D.L, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-02-02
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of human phosphofructokinase-1 and atomic basis of cancer-associated mutations.
Nature, 523, 2015
6COX
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BU of 6cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
Descriptor: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
6CGT
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BU of 6cgt by Molmil
HOXA COMPLEX OF CYCLODEXTRIN GLYCOSYLTRANSFERASE MUTANT
Descriptor: 4-amino-4,6-dideoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ...
Authors:Parsiegla, G, Schulz, G.E.
Deposit date:1998-06-06
Release date:1998-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
8AAC
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BU of 8aac by Molmil
African cichlid nackednavirus capsid at pH 7.5
Descriptor: C protein
Authors:Pfister, S, Rabl, J, Boehringer, D, Meier, B.H.
Deposit date:2022-07-01
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural conservation of HBV-like capsid proteins over hundreds of millions of years despite the shift from non-enveloped to enveloped life-style.
Nat Commun, 14, 2023
4YAU
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BU of 4yau by Molmil
Reduced CYPOR mutant - G141del/E142N
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-17
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
4YN3
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BU of 4yn3 by Molmil
Crystal structure of Cucumisin complex with pro-peptide
Descriptor: CHLORIDE ION, Cucumisin, DI(HYDROXYETHYL)ETHER, ...
Authors:Murayama, K, Kato-Murayama, M, Yokoyama, S, Arima, K, Shirouzu, M.
Deposit date:2015-03-09
Release date:2016-03-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of cucumisin protease activity regulation by its propeptide
J. Biochem., 161, 2017
4YVF
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BU of 4yvf by Molmil
Structure of S-adenosyl-L-homocysteine hydrolase
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-N-(1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide, Adenosylhomocysteinase
Authors:Akiko, K.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and structural analyses of S-adenosyl-L-homocysteine hydrolase inhibitors based on non-adenosine analogs.
Bioorg.Med.Chem., 23, 2015
4Y9U
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BU of 4y9u by Molmil
rat CYPOR mutant - G143del
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-17
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
6BOK
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BU of 6bok by Molmil
E. coli release factor 1 (containing deletion 302-304) bound to the 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Korostelev, A.A.
Deposit date:2017-11-20
Release date:2018-05-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Conformational Control of Translation Termination on the 70S Ribosome.
Structure, 26, 2018
3KLF
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BU of 3klf by Molmil
Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA
Descriptor: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), GLYCEROL, ...
Authors:Tu, X, Das, K, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
6CP4
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BU of 6cp4 by Molmil
P450CAM D251N MUTANT
Descriptor: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:1998-05-28
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
3KLE
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BU of 3kle by Molmil
Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA
Descriptor: DNA (25-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), GLYCEROL, ...
Authors:Tu, X, Das, K, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
4Y7C
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BU of 4y7c by Molmil
rat CYPOR mutant - G141del/E142N
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-13
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
4YAF
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BU of 4yaf by Molmil
rat CYPOR with 2'-AMP
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-17
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
4YK8
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BU of 4yk8 by Molmil
Crystal structure of the Atg101-Atg13 complex from fission yeast
Descriptor: Autophagy protein 13, Meiotically up-regulated gene 66 protein
Authors:Suzuki, H, Noda, N.N.
Deposit date:2015-03-04
Release date:2015-06-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Atg101-Atg13 complex reveals essential roles of Atg101 in autophagy initiation.
Nat.Struct.Mol.Biol., 22, 2015
4YWU
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BU of 4ywu by Molmil
Structural insight into the substrate inhibition mechanism of NADP+-dependent succinic semialdehyde dehydrogenase from Streptococcus pyogenes
Descriptor: 4-oxobutanoic acid, SULFATE ION, Succinic semialdehyde dehydrogenase
Authors:Jang, E.H, Park, S.A, Chi, Y.M, Lee, K.S.
Deposit date:2015-03-21
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the substrate inhibition mechanism of NADP(+)-dependent succinic semialdehyde dehydrogenase from Streptococcus pyogenes.
Biochem.Biophys.Res.Commun., 461, 2015
4Y9R
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BU of 4y9r by Molmil
rat CYPOR mutant - G141del
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-17
Release date:2016-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
6CZ2
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BU of 6cz2 by Molmil
Structure of the PTK6 kinase domain
Descriptor: Protein-tyrosine kinase 6
Authors:Gajiwala, K.S, Johnson, E, Cronin, C.N.
Deposit date:2018-04-07
Release date:2018-06-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers.
PLoS ONE, 13, 2018
4WQT
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BU of 4wqt by Molmil
Thermus thermophilus RNA polymerase complexed with an RNA cleavage stimulating factor (a GreA/Gfh1 chimeric protein)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Murayama, Y, Sekine, S, Yokoyama, S.
Deposit date:2014-10-22
Release date:2015-02-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:The Ratcheted and Ratchetable Structural States of RNA Polymerase Underlie Multiple Transcriptional Functions.
Mol.Cell, 57, 2015
5NSE
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BU of 5nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, HYDROXY-ARG COMPLEX
Descriptor: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-01-13
Release date:2002-05-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues
To be Published

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