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1GRG
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BU of 1grg by Molmil
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, PHOSPHATE ION
Authors:Karplus, P.A, Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
1GRE
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BU of 1gre by Molmil
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLUTATHIONE REDUCTASE, ...
Authors:Karplus, P.A, Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
6Z9W
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BU of 6z9w by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV
Descriptor: Beta-2-microglobulin, LEU-LEU-GLY-TRP-VAL-PHE-ALA-GLN-VAL, MHC class I antigen
Authors:Rizkallah, P.J, Man, S, Redman, J.E.
Deposit date:2020-06-04
Release date:2021-06-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
6Z9V
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BU of 6z9v by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Rizkallah, P.J, Man, S, Redman, J.E.
Deposit date:2020-06-04
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
6Z9X
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BU of 6z9x by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT
Descriptor: Beta-2-microglobulin, LEU-LEU-SER-TUR-PHE-GLY-THR-PRO-THR, MHC class I antigen, ...
Authors:Rizkallah, P.J, Man, S, Redman, J.E.
Deposit date:2020-06-04
Release date:2021-06-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
1HKC
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BU of 1hkc by Molmil
RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND PHOSPHATE
Descriptor: D-GLUCOSE 6-PHOSPHOTRANSFERASE, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Aleshin, A.E, Honzatko, R.B.
Deposit date:1998-07-01
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulation of hexokinase I: crystal structure of recombinant human brain hexokinase complexed with glucose and phosphate.
J.Mol.Biol., 282, 1998
1HRH
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BU of 1hrh by Molmil
CRYSTAL STRUCTURE OF THE RIBONUCLEASE H DOMAIN OF HIV-1 REVERSE TRANSCRIPTASE
Descriptor: RIBONUCLEASE H
Authors:Davies /II, J.F, Matthews, D.A.
Deposit date:1991-03-06
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the ribonuclease H domain of HIV-1 reverse transcriptase.
Science, 252, 1991
6Z01
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BU of 6z01 by Molmil
DNA Topoisomerase
Descriptor: CHLORIDE ION, DNA topoisomerase I
Authors:Takahashi, T.S, Gadelle, D, Forterre, P, Mayer, C, Petrella, S.
Deposit date:2020-05-07
Release date:2021-11-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Topoisomerase I (TOP1) dynamics: conformational transition from open to closed states.
Nat Commun, 13, 2022
6Z03
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BU of 6z03 by Molmil
DNA Topoisomerase
Descriptor: DNA topoisomerase I
Authors:Takahashi, T.S, Gadelle, D, Forterre, P, Mayer, C, Petrella, S.
Deposit date:2020-05-07
Release date:2021-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Topoisomerase I (TOP1) dynamics: conformational transition from open to closed states.
Nat Commun, 13, 2022
6YW8
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BU of 6yw8 by Molmil
NMR solution structure of unbound recombinant human Nerve Growth Factor (rhNGF)
Descriptor: Beta-nerve growth factor
Authors:Golic Grdadolnik, S, Paoletti, F.
Deposit date:2020-04-29
Release date:2021-05-12
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Endogenous modulators of neurotrophin signaling: Landscape of the transient ATP-NGF interactions.
Comput Struct Biotechnol J, 19, 2021
6ZSC
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BU of 6zsc by Molmil
Human mitochondrial ribosome in complex with E-site tRNA
Descriptor: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
Authors:Aibara, S, Singh, V, Modelska, A, Amunts, A.
Deposit date:2020-07-15
Release date:2020-09-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of mitochondrial translation.
Elife, 9, 2020
6ZM6
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BU of 6zm6 by Molmil
Human mitochondrial ribosome in complex with mRNA, A/A tRNA and P/P tRNA
Descriptor: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
Authors:Itoh, Y, Andrell, J, Amunts, A.
Deposit date:2020-07-01
Release date:2021-01-13
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Mechanism of membrane-tethered mitochondrial protein synthesis.
Science, 371, 2021
1HM8
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BU of 1hm8 by Molmil
CRYSTAL STRUCTURE OF S.PNEUMONIAE N-ACETYLGLUCOSAMINE-1-PHOSPHATE URIDYLTRANSFERASE, GLMU, BOUND TO ACETYL COENZYME A
Descriptor: ACETYL COENZYME *A, CALCIUM ION, UDP-N-ACETYLGLUCOSAMINE-1-PHOSPHATE URIDYLTRANSFERASE
Authors:Sulzenbacher, G, Gal, L, Peneff, C, Fassy, F, Bourne, Y.
Deposit date:2000-12-05
Release date:2001-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Streptococcus pneumoniae N-acetylglucosamine-1-phosphate uridyltransferase bound to acetyl-coenzyme A reveals a novel active site architecture.
J.Biol.Chem., 276, 2001
6ZYB
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BU of 6zyb by Molmil
Sarcin-Ricin Loop RNA from Ecoli with a C2667-2'-OCF3 modification
Descriptor: Sarcin-Ricin Loop RNA from Ecoli with a C2667-2'-OCF3 modification
Authors:Ennifar, E.
Deposit date:2020-07-31
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:2'- O -Trifluoromethylated RNA - a powerful modification for RNA chemistry and NMR spectroscopy.
Chem Sci, 11, 2020
7A5J
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BU of 7a5j by Molmil
Structure of the split human mitoribosomal large subunit with P-and E-site mt-tRNAs
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V.
Deposit date:2020-08-21
Release date:2020-12-23
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Elongational stalling activates mitoribosome-associated quality control.
Science, 370, 2020
1HW6
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BU of 1hw6 by Molmil
CRYSTAL STRUCTURE OF APO-2,5-DIKETO-D-GLUCONATE REDUCTASE
Descriptor: 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE, CHLORIDE ION, MAGNESIUM ION
Authors:Sanli, G, Blaber, M.
Deposit date:2001-01-09
Release date:2001-06-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural assembly of the active site in an aldo-keto reductase by NADPH cofactor.
J.Mol.Biol., 309, 2001
1HRK
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BU of 1hrk by Molmil
CRYSTAL STRUCTURE OF HUMAN FERROCHELATASE
Descriptor: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, FERROCHELATASE
Authors:Wu, C.K, Dailey, H.A, Rose, J.P, Burden, A, Sellers, V.M, Wang, B.-C.
Deposit date:2000-12-21
Release date:2001-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0 A structure of human ferrochelatase, the terminal enzyme of heme biosynthesis.
Nat.Struct.Biol., 8, 2001
6ZTJ
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BU of 6ztj by Molmil
E. coli 70S-RNAP expressome complex in NusG-coupled state (38 nt intervening mRNA)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
Authors:Webster, M.W, Takacs, M, Weixlbaumer, A.
Deposit date:2020-07-20
Release date:2020-09-16
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
1HM0
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BU of 1hm0 by Molmil
CRYSTAL STRUCTURE OF S.PNEUMONIAE N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE, GLMU
Descriptor: CALCIUM ION, N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE
Authors:Sulzenbacher, G, Gal, L, Peneff, C, Fassy, F, Bourne, Y.
Deposit date:2000-12-04
Release date:2001-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Streptococcus pneumoniae N-acetylglucosamine-1-phosphate uridyltransferase bound to acetyl-coenzyme A reveals a novel active site architecture.
J.Biol.Chem., 276, 2001
6ZTP
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BU of 6ztp by Molmil
E. coli 70S-RNAP expressome complex in uncoupled state 6
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Webster, M.W, Takacs, M, Weixlbaumer, A.
Deposit date:2020-07-20
Release date:2020-09-16
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
1HQT
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BU of 1hqt by Molmil
THE CRYSTAL STRUCTURE OF AN ALDEHYDE REDUCTASE Y50F MUTANT-NADP COMPLEX AND ITS IMPLICATIONS FOR SUBSTRATE BINDING
Descriptor: ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ye, Q, Hyndman, D, Green, N.C, Li, L, Korithoski, B, Jia, Z, Flynn, T.G.
Deposit date:2000-12-19
Release date:2001-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of an Aldehyde Reductase Y50F Mutant-NADP Complex and its Implications for Substrate Binding
Chem.Biol.Interact., 132, 2001
1HUI
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BU of 1hui by Molmil
INSULIN MUTANT (B1, B10, B16, B27)GLU, DES-B30, NMR, 25 STRUCTURES
Descriptor: INSULIN
Authors:Olsen, H.B, Ludvigsen, S, Kaarsholm, N.C.
Deposit date:1996-03-29
Release date:1997-03-12
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution structure of an engineered insulin monomer at neutral pH.
Biochemistry, 35, 1996
3SX4
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BU of 3sx4 by Molmil
Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ...
Authors:Klei, H.E.
Deposit date:2011-07-14
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
3SWW
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BU of 3sww by Molmil
Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ...
Authors:Klei, H.E.
Deposit date:2011-07-14
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
3VHK
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BU of 3vhk by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder
Descriptor: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
Authors:Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
Deposit date:2011-08-25
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012

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