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7Q8T
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BU of 7q8t by Molmil
Crystal structure of NAMPT bound to ligand TSY535(compound 9a)
Descriptor: Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
Authors:Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-11-11
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators.
Acta Pharm Sin B, 13, 2023
7W47
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BU of 7w47 by Molmil
Crystal structure of the gastric proton pump complexed with tegoprazan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ...
Authors:Abe, K, Tanaka, S, Morita, M, Yamagishi, T.
Deposit date:2021-11-26
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
7W48
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BU of 7w48 by Molmil
Crystal structure of the gastric proton pump complexed with PF-03716556
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Abe, K, Tanaka, S.
Deposit date:2021-11-26
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
7W49
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BU of 7w49 by Molmil
Crystal structure of the gastric proton pump complexed with soraprazan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ...
Authors:Abe, K, Tanaka, S.
Deposit date:2021-11-26
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
7W4A
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BU of 7w4a by Molmil
Cryo-EM structure of the gastric proton pump complexed with revaprazan
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Abe, K, Tanaka, S, Morita, M, Yamagishi, T.
Deposit date:2021-11-26
Release date:2022-03-02
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
6IGI
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BU of 6igi by Molmil
Crystal structure of FT condition 2
Descriptor: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
4YNC
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BU of 4ync by Molmil
OYE1 W116A COMPLEXED WITH (Z)-METHYL-3-CYANO-3-PHENYLACRYLATE IN A NON PRODUCTIVE BINDING MODE
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, ...
Authors:Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W.
Deposit date:2015-03-09
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
4YIL
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BU of 4yil by Molmil
OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE
Descriptor: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH dehydrogenase 1, ...
Authors:Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W.
Deposit date:2015-03-02
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
2W27
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BU of 2w27 by Molmil
CRYSTAL STRUCTURE OF THE BACILLUS SUBTILIS YKUI PROTEIN, WITH AN EAL DOMAIN, IN COMPLEX WITH SUBSTRATE C-DI-GMP AND CALCIUM
Descriptor: CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, YKUI PROTEIN
Authors:Padavattan, S, AndERSON, W.F, Schirmer, T.
Deposit date:2008-10-24
Release date:2009-02-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Ykui and its Complex with Second Messenger C-Di-Gmp Suggests Catalytic Mechanism of Phosphodiester Bond Cleavage by Eal Domains.
J.Biol.Chem., 284, 2009
7C0E
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BU of 7c0e by Molmil
Crystal structure of Azospirillum brasilense L-2-keto-3-deoxyarabonate dehydratase (2-oxobutyrate-bound form)
Descriptor: L-2-keto-3-deoxyarabonate dehydratase
Authors:Watanabe, Y, Ono, A, Watanabe, S.
Deposit date:2020-05-01
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Biochemical and Structural Characterization of l-2-Keto-3-deoxyarabinonate Dehydratase: A Unique Catalytic Mechanism in the Class I Aldolase Protein Superfamily.
Biochemistry, 59, 2020
5AYK
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BU of 5ayk by Molmil
Crystal structure of ERdj5 form I
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CHLORIDE ION, DnaJ homolog subfamily C member 10
Authors:Watanabe, S, Maegawa, K, Inaba, K.
Deposit date:2015-08-22
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Highly dynamic nature of ERdj5 is essential for enhancement of the ER associated degradation
To Be Published
7WWX
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BU of 7wwx by Molmil
Crystal structure of Herbaspirillum huttiense L-arabinose 1-dehydrogenase (NAD bound form)
Descriptor: DI(HYDROXYETHYL)ETHER, NAD(P)-dependent dehydrogenase (Short-subunit alcohol dehydrogenase family), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Matsubara, R, Yoshiwara, K, Watanabe, Y, Watanabe, S.
Deposit date:2022-02-14
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structure of L-arabinose 1-dehydrogenase as a short-chain reductase/dehydrogenase protein.
Biochem.Biophys.Res.Commun., 604, 2022
5AYL
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BU of 5ayl by Molmil
Crystal structure of ERdj5 form II
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DnaJ homolog subfamily C member 10
Authors:Watanabe, S, Maegawa, K, Inaba, K.
Deposit date:2015-08-22
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Highly dynamic nature of ERdj5 is essential for enhancement of the ER associated degradation
To Be Published
7CNQ
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BU of 7cnq by Molmil
Crystal structure of Agrobacterium tumefaciens aconitase X (holo-form)
Descriptor: (2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid, FE2/S2 (INORGANIC) CLUSTER, cis-3-hydroxy-L-proline dehydratase
Authors:Murase, Y, Watanabe, Y, Watanabe, S.
Deposit date:2020-08-03
Release date:2021-06-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
7CNR
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BU of 7cnr by Molmil
Crystal structure of Thermococcus kodakaraensis aconitase X (apo-form)
Descriptor: DUF521 domain-containing protein, FE3-S4 CLUSTER, UPF0107 protein TK1248
Authors:Murase, Y, Watanabe, Y, Watanabe, S.
Deposit date:2020-08-03
Release date:2021-06-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
7CNP
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BU of 7cnp by Molmil
Crystal structure of Agrobacterium tumefaciens aconitase X (apo-form)
Descriptor: FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, cis-3-hydroxy-L-proline dehydratase
Authors:Murase, Y, Watanabe, Y, Watanabe, S.
Deposit date:2020-08-03
Release date:2021-06-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
7CNS
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BU of 7cns by Molmil
Crystal structure of Thermococcus kodakaraensis aconitase X (holo-form)
Descriptor: (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID, DUF521 domain-containing protein, FE3-S4 CLUSTER, ...
Authors:Murase, Y, Watanabe, Y, Watanabe, S.
Deposit date:2020-08-03
Release date:2021-06-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
7D2R
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BU of 7d2r by Molmil
Crystal structure of Agrobacterium tumefaciens aconitase X mutant - S449C/C510V
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, SODIUM ION, ...
Authors:Murase, Y, Watanabe, Y, Watanabe, S.
Deposit date:2020-09-17
Release date:2021-06-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
7C0D
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BU of 7c0d by Molmil
Crystal structure of Azospirillum brasilense L-2-keto-3-deoxyarabonate dehydratase (Hydroxypyruvate-bound form)
Descriptor: L-2-keto-3-deoxyarabonate dehydratase
Authors:Watanabe, Y, Watanabe, S.
Deposit date:2020-05-01
Release date:2020-08-05
Last modified:2020-09-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biochemical and Structural Characterization of l-2-Keto-3-deoxyarabinonate Dehydratase: A Unique Catalytic Mechanism in the Class I Aldolase Protein Superfamily.
Biochemistry, 59, 2020
7C0C
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BU of 7c0c by Molmil
Crystal structure of Azospirillum brasilense L-2-keto-3-deoxyarabonate dehydratase (apo form)
Descriptor: L-2-keto-3-deoxyarabonate dehydratase
Authors:Watanabe, Y, Nobuchi, R, Watanabe, S.
Deposit date:2020-05-01
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biochemical and Structural Characterization of l-2-Keto-3-deoxyarabinonate Dehydratase: A Unique Catalytic Mechanism in the Class I Aldolase Protein Superfamily.
Biochemistry, 59, 2020
5AZZ
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BU of 5azz by Molmil
Crystal structure of seleno-insulin
Descriptor: Insulin A chain, Insulin B chain
Authors:Watanabe, S, Okumura, M, Arai, K, Takei, T, Asahina, Y, Hojo, H, Iwaoka, M, Inaba, K.
Deposit date:2015-10-23
Release date:2017-05-03
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Preparation of Selenoinsulin as a Long-Lasting Insulin Analogue.
Angew. Chem. Int. Ed. Engl., 56, 2017
6IGH
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BU of 6igh by Molmil
Crystal structure of FT condition3
Descriptor: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGG
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BU of 6igg by Molmil
Crystal structure of FT condition 1
Descriptor: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGJ
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BU of 6igj by Molmil
Crystal structure of FT condition 4
Descriptor: MAGNESIUM ION, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6CW2
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BU of 6cw2 by Molmil
Crystal structure of a yeast SAGA transcriptional coactivator Ada2/Gcn5 HAT subcomplex, crystal form 1
Descriptor: Histone acetyltransferase GCN5, Transcriptional adapter 2, ZINC ION, ...
Authors:Sun, J, Paduch, M, Kim, S.A, Kramer, R.M, Barrios, A.F, Lu, V, Luke, J, Usatyuk, S, Kossiakoff, A.A, Tan, S.
Deposit date:2018-03-29
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural basis for activation of SAGA histone acetyltransferase Gcn5 by partner subunit Ada2.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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