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5YBS
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BU of 5ybs by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with berkeleyone A
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBN
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BU of 5ybn by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA in complex with (alpha)ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBP
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BU of 5ybp by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A1
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
2ZDT
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BU of 2zdt by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Descriptor: 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10
Authors:Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
5CSC
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BU of 5csc by Molmil
STRUCTURE OF AN OPEN FORM OF CHICKEN HEART CITRATE SYNTHASE AT 2.8 ANGSTROMS RESOLUTION
Descriptor: CITRATE SYNTHASE
Authors:Liao, D.-I, Karpusas, M, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of an open conformation of citrate synthase from chicken heart at 2.8-A resolution
Biochemistry, 30, 1991
5BXT
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BU of 5bxt by Molmil
LNBase in complex with LNB-NHAcAUS
Descriptor: Lacto-N-biosidase, N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide, SULFATE ION, ...
Authors:Ito, T, Arakawa, T, Fushinobu, S.
Deposit date:2015-06-09
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
4WU7
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BU of 4wu7 by Molmil
HLA-A24 in complex with HIV-1 Nef134-8(2F)
Descriptor: 8-Mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Shimizu, A, Yamagata, A, Fukai, S, Iwamoto, A.
Deposit date:2014-10-31
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Crystal structure of Nef134-8 epitope presented by HLA-A24
To Be Published
4YD9
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BU of 4yd9 by Molmil
Crystal structure of squid hemocyanin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CU2-O2 CLUSTER, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Matsuno, A, Gai, Z, Kato, K, Tanaka, Y, Yao, M.
Deposit date:2015-02-21
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the 3.8-MDa Respiratory Supermolecule Hemocyanin at 3.0 angstrom Resolution
Structure, 23, 2015
1BYL
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BU of 1byl by Molmil
BLEOMYCIN RESISTANCE PROTEIN FROM STREPTOALLOTEICHUS HINDUSTANUS
Descriptor: PROTEIN (BLEOMYCIN RESISTANCE PROTEIN)
Authors:Dumas, P, Bergdoll, M, Cagnon, C, Masson, J.M.
Deposit date:1998-10-17
Release date:1999-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and site-directed mutagenesis of a bleomycin resistance protein and their significance for drug sequestering.
EMBO J., 13, 1994
5BXP
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BU of 5bxp by Molmil
LNBase in complex with LNB-LOGNAc
Descriptor: Lacto-N-biosidase, SULFATE ION, beta-D-galactopyranose-(1-3)-N-acetylglucosaminono-1,5-lactone (Z)-oxime
Authors:Ito, T, Arakawa, T, Fushinobu, S.
Deposit date:2015-06-09
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
5CTS
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BU of 5cts by Molmil
PROPOSED MECHANISM FOR THE CONDENSATION REACTION OF CITRATE SYNTHASE. 1.9-ANGSTROMS STRUCTURE OF THE TERNARY COMPLEX WITH OXALOACETATE AND CARBOXYMETHYL COENZYME A
Descriptor: CARBOXYMETHYL COENZYME *A, CITRATE SYNTHASE, OXALOACETATE ION
Authors:Karpusas, M, Branchaud, B, Remington, S.J.
Deposit date:1989-11-16
Release date:1990-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Proposed mechanism for the condensation reaction of citrate synthase: 1.9-A structure of the ternary complex with oxaloacetate and carboxymethyl coenzyme A.
Biochemistry, 29, 1990
6A77
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BU of 6a77 by Molmil
Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the Fab fragment of murine monoclonal antibody B5209B
Descriptor: Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, Roundabout homolog 1
Authors:Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
6A76
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BU of 6a76 by Molmil
Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody specific for the fifth immunoglobulin domain (Ig5) of human ROBO1
Descriptor: GLYCEROL, Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, ...
Authors:Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
6A79
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BU of 6a79 by Molmil
Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the mutant scFv fragment (P103A) of murine monoclonal antibody B5209B
Descriptor: Heavy chain of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ...
Authors:Mizohata, E, Nakayama, T, Kado, Y, Yokota, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
2ZYE
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BU of 2zye by Molmil
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography
Descriptor: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease
Authors:Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R.
Deposit date:2009-01-20
Release date:2009-03-24
Last modified:2024-05-29
Method:NEUTRON DIFFRACTION (1.9 Å)
Cite:Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
2ZDU
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BU of 2zdu by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Descriptor: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10
Authors:Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
1RDB
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BU of 1rdb by Molmil
CRYSTAL STRUCTURES OF RIBONUCLEASE HI ACTIVE SITE MUTANTS FROM ESCHERICHIA COLI
Descriptor: RIBONUCLEASE H
Authors:Katayanagi, K, Morikawa, K.
Deposit date:1993-06-23
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of ribonuclease HI active site mutants from Escherichia coli.
J.Biol.Chem., 268, 1993
1TCH
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BU of 1tch by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Lancelin, J.-M, Kohda, D, Inagaki, F.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
3VXV
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BU of 3vxv by Molmil
Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ...
Authors:Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
Deposit date:2012-09-21
Release date:2013-01-16
Last modified:2013-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4
J.Biol.Chem., 288, 2013
1TCJ
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BU of 1tcj by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Kohda, D, Lancelin, J.-M, Inagaki, F, Wakamatsu, K.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
3VYB
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BU of 3vyb by Molmil
Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/hmCG sequence
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5HC)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ...
Authors:Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
Deposit date:2012-09-22
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4
J.Biol.Chem., 288, 2013
3VXX
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BU of 3vxx by Molmil
Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/5mCG sequence
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5CM)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ...
Authors:Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
Deposit date:2012-09-21
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4
J.Biol.Chem., 288, 2013
3VYQ
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BU of 3vyq by Molmil
Crystal structure of the methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence in space group P1
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*AP*TP*CP*(5CM)P*GP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*TP*GP*GP*AP*TP*GP*T)-3'), ...
Authors:Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
Deposit date:2012-10-02
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4
J.Biol.Chem., 288, 2013
3WRW
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BU of 3wrw by Molmil
Crystal structure of the N-terminal domain of resistance protein
Descriptor: L(+)-TARTARIC ACID, Tm-1 protein
Authors:Katoh, E, Kezuka, Y.
Deposit date:2014-02-27
Release date:2014-08-13
Last modified:2016-11-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Proc.Natl.Acad.Sci.USA, 111, 2014
3WB2
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BU of 3wb2 by Molmil
HcgB from Methanocaldococcus jannaschii in complex with the guanylyl-pyridinol product in a model reaction of [Fe]-hydrogenase cofactor biosynthesis
Descriptor: 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2013-05-11
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013

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