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1BDD
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BU of 1bdd by Molmil
STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: STAPHYLOCOCCUS AUREUS PROTEIN A
Authors:Gouda, H, Torigoe, H, Saito, A, Sato, M, Arata, Y, Shimada, I.
Deposit date:1996-06-28
Release date:1997-01-11
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures.
Biochemistry, 31, 1992
1BDC
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BU of 1bdc by Molmil
STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, 10 STRUCTURES
Descriptor: STAPHYLOCOCCUS AUREUS PROTEIN A
Authors:Gouda, H, Torigoe, H, Saito, A, Sato, M, Arata, Y, Shimada, I.
Deposit date:1996-06-28
Release date:1997-01-11
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures.
Biochemistry, 31, 1992
7RUU
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BU of 7ruu by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to adenosylcobalamin
Descriptor: 5'-DEOXYADENOSINE, ACETATE ION, COBALAMIN, ...
Authors:Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
Deposit date:2021-08-18
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
7RUT
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BU of 7rut by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Corrinoid adenosyltransferase, GLYCEROL, ...
Authors:Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
Deposit date:2021-08-18
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
7RUV
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BU of 7ruv by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ...
Authors:Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
Deposit date:2021-08-18
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
8DYL
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BU of 8dyl by Molmil
Crystal structure of human methylmalonyl-CoA mutase bound to aquocobalamin
Descriptor: COBALAMIN, GLYCEROL, Methylmalonyl-CoA mutase, ...
Authors:Mascarenhas, R.N, Gouda, H, Banerjee, R.
Deposit date:2022-08-04
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DYJ
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BU of 8dyj by Molmil
Crystal structure of human methylmalonyl-CoA mutase in complex with ADP and cob(II)alamin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COBALAMIN, Methylmalonyl-CoA mutase, ...
Authors:Mascarenhas, R.N, Gouda, H, Banerjee, R.
Deposit date:2022-08-04
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair.
Proc.Natl.Acad.Sci.USA, 120, 2023
1OAV
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BU of 1oav by Molmil
OMEGA-AGATOXIN IVA
Descriptor: OMEGA-AGATOXIN IVA
Authors:Kim, J.I, Konishi, S, Iwai, H, Kohno, T, Gouda, H, Shimada, I, Sato, K, Arata, Y.
Deposit date:1995-06-28
Release date:1995-10-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the calcium channel antagonist omega-agatoxin IVA: consensus molecular folding of calcium channel blockers.
J.Mol.Biol., 250, 1995
1OAW
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BU of 1oaw by Molmil
OMEGA-AGATOXIN IVA
Descriptor: OMEGA-AGATOXIN IVA
Authors:Kim, J.I, Konishi, S, Iwai, H, Kohno, T, Gouda, H, Shimada, I, Sato, K, Arata, Y.
Deposit date:1995-06-28
Release date:1995-10-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the calcium channel antagonist omega-agatoxin IVA: consensus molecular folding of calcium channel blockers.
J.Mol.Biol., 250, 1995
8GJU
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BU of 8gju by Molmil
Crystal structure of human methylmalonyl-CoA mutase (MMUT) in complex with methylmalonic acidemia type A protein (MMAA), coenzyme A, and GDP
Descriptor: COENZYME A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mascarenhas, R.M, Ruetz, M, Gouda, H, Yaw, M, Banerjee, R.
Deposit date:2023-03-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Architecture of the human G-protein-methylmalonyl-CoA mutase nanoassembly for B 12 delivery and repair.
Nat Commun, 14, 2023
3WD4
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BU of 3wd4 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound
Descriptor: (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine, Chitinase B, GLYCEROL, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WD2
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BU of 3wd2 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor
Descriptor: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WD1
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BU of 3wd1 by Molmil
Serratia marcescens Chitinase B complexed with syn-triazole inhibitor
Descriptor: Chitinase B, GLYCEROL, N,N-dibenzyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-N~2~-{[5-({[(E)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1H-1,2,3-triazol-1-yl]acetyl}-L-ornithinamide, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WD3
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BU of 3wd3 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor
Descriptor: Chitinase B, GLYCEROL, SULFATE ION, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WD0
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BU of 3wd0 by Molmil
Serratia marcescens Chitinase B, tetragonal form
Descriptor: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
7DKD
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BU of 7dkd by Molmil
Stenotrophomonas maltophilia DPP7 in complex with Asn-Tyr
Descriptor: ASPARAGINE, Dipeptidyl-peptidase, GLYCEROL, ...
Authors:Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
7DKC
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BU of 7dkc by Molmil
Stenotrophomonas maltophilia DPP7 in complex with Tyr-Tyr
Descriptor: Dipeptidyl-peptidase, GLYCEROL, TYROSINE
Authors:Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
7DKB
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BU of 7dkb by Molmil
Stenotrophomonas maltophilia DPP7 in complex with Val-Tyr
Descriptor: Dipeptidyl-peptidase, TYROSINE, VALINE
Authors:Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
7DKE
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BU of 7dke by Molmil
Stenotrophomonas maltophilia DPP7 in complex with Phe-Tyr
Descriptor: Dipeptidyl-peptidase, GLYCEROL, PHENYLALANINE, ...
Authors:Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
6OXC
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BU of 6oxc by Molmil
Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Methylmalonyl-CoA mutase large subunit, ...
Authors:Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M.
Deposit date:2019-05-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair.
Science, 366, 2019
7C7F
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BU of 7c7f by Molmil
Crystal structures of AKR1C3 binary complex with NADP+
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
7C7G
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BU of 7c7g by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j
Descriptor: 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
5X2L
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BU of 5x2l by Molmil
Crystal Structure of Human Serine Racemase
Descriptor: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase
Authors:Obita, T, Matsumoto, K, Mori, H, Toyooka, N, Mizuguchi, M.
Deposit date:2017-02-01
Release date:2018-01-31
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.806 Å)
Cite:Design, synthesis, and evaluation of novel inhibitors for wild-type human serine racemase.
Bioorg. Med. Chem. Lett., 2017
6JTB
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BU of 6jtb by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate from Porphyromonas gingivalis (Space)
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
Deposit date:2019-04-10
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
6JTC
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BU of 6jtc by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with SH-5 from Porphyromonas gingivalis (Space)
Descriptor: 2-(2-azanylethylamino)-5-nitro-benzoic acid, Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
Deposit date:2019-04-10
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019

 

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