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5YR9
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BU of 5yr9 by Molmil
Crystal Structure of Cypovirus Polyhedra R13A/E73C/Y83C Mutant
Descriptor: 1,2-ETHANEDIOL, Polyhedrin
Authors:Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T.
Deposit date:2017-11-08
Release date:2018-02-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
5YHB
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BU of 5yhb by Molmil
Crystal structure of Pd(allyl)/polyhedra mutant with deletion of Gly192-Ala194
Descriptor: PALLADIUM ION, Palladium(II) allyl complex, Polyhedrin
Authors:Abe, S, Atsumi, K, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
Deposit date:2017-09-27
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of in cell protein crystals containing organometallic complexes.
Phys Chem Chem Phys, 20, 2018
5YR1
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BU of 5yr1 by Molmil
Crystal Structure of Cypovirus Polyhedra R13A/E73C/Y83C/S193C/A194C Mutant
Descriptor: 1,2-ETHANEDIOL, Polyhedrin
Authors:Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T.
Deposit date:2017-11-08
Release date:2018-02-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
5YRD
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BU of 5yrd by Molmil
Crystal Structure of Oxidized Cypovirus Polyhedra R13A/S193C/A194C Mutant
Descriptor: 1,2-ETHANEDIOL, Polyhedrin
Authors:Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T.
Deposit date:2017-11-09
Release date:2018-02-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
7BOM
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BU of 7bom by Molmil
Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr immobilized with gold ions.
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T.
Deposit date:2020-03-19
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage
Chem Lett., 49, 2021
7BON
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BU of 7bon by Molmil
Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T.
Deposit date:2020-03-19
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage
Chem Lett., 49, 2021
7E3E
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BU of 7e3e by Molmil
Crystal structure of Trypanosoma brucei cathepsin B R91C/T223C mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Abe, S, Pham, T.T, Negishi, H, Yamashita, K, Hirata, K, Ueno, T.
Deposit date:2021-02-08
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of an In-Cell Protein Crystal for the Environmentally Responsive Construction of a Supramolecular Filament.
Angew.Chem.Int.Ed.Engl., 60, 2021
7E3F
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BU of 7e3f by Molmil
Crystal structure of Trypanosoma brucei cathepsin B Y217C/S275C mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Abe, S, Pham, T.T, Negishi, H, Yamashita, K, Hirata, K, Ueno, T.
Deposit date:2021-02-08
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Design of an In-Cell Protein Crystal for the Environmentally Responsive Construction of a Supramolecular Filament.
Angew.Chem.Int.Ed.Engl., 60, 2021
7E3G
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BU of 7e3g by Molmil
Crystal structure of Trypanosoma brucei cathepsin B R91C/T223C mutant in the living cell
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Abe, S, Pham, T.T, Negishi, H, Yamashita, K, Hirata, K, Ueno, T.
Deposit date:2021-02-08
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.86 Å)
Cite:Design of an In-Cell Protein Crystal for the Environmentally Responsive Construction of a Supramolecular Filament.
Angew.Chem.Int.Ed.Engl., 60, 2021
1O16
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BU of 1o16 by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN H64D/V68S/D122N MUTANT (MET)
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Phillips Jr, G.N.
Deposit date:2002-10-25
Release date:2003-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular engineering of myoglobin: influence of residue 68 on the rate and the enantioselectivity of oxidation reactions catalyzed by H64D/V68X myoglobin
Biochemistry, 42, 2003
7N66
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BU of 7n66 by Molmil
BACE-1 in complex with ligand 12
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Shaffer, P.L.
Deposit date:2021-06-07
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
J.Med.Chem., 64, 2021
7N4N
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BU of 7n4n by Molmil
BACE-2 in complex with ligand 36
Descriptor: 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ...
Authors:Shaffer, P.L.
Deposit date:2021-06-04
Release date:2021-10-06
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
J.Med.Chem., 64, 2021
4ZY3
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BU of 4zy3 by Molmil
Crystal Structure of Keap1 in Complex with a small chemical compound, K67
Descriptor: FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
Authors:Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M.
Deposit date:2015-05-21
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
4Y59
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BU of 4y59 by Molmil
Crystal structure of ALiS1-Streptavidin complex
Descriptor: 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one, Streptavidin
Authors:Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
Deposit date:2015-02-11
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
4Y5D
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BU of 4y5d by Molmil
CRYSTAL STRUCTURE OF ALiS2-STREPTAVIDIN COMPLEX
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, DIMETHYL SULFOXIDE, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
Deposit date:2015-02-11
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
4LNR
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BU of 4lnr by Molmil
The structure of HLA-B*35:01 in complex with the peptide (RPQVPLRPMTY)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Cheng, H, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2013-07-12
Release date:2014-07-23
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex.
J.Biol.Chem., 289, 2014
8GS6
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BU of 8gs6 by Molmil
Structure of the SARS-CoV-2 BA.2.75 spike glycoprotein (closed state 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Anraku, Y, Tabata-Sasaki, K, Kita, S, Fukuhara, H, Maenaka, K, Hashiguchi, T.
Deposit date:2022-09-05
Release date:2022-10-26
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron BA.2.75 variant.
Cell Host Microbe, 30, 2022
8DCQ
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BU of 8dcq by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH YIR-821
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-06-17
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of a Novel CD4 Mimetic Compound YIR-821 against HIV-1 Clinical Isolates.
J.Virol., 97, 2023
1LUE
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BU of 1lue by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN H64D/V68A/D122N MUTANT (MET)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Phillips Jr, G.N.
Deposit date:2002-05-22
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular engineering of myoglobin: influence of residue 68 on the rate and the enantioselectivity of oxidation reactions catalyzed by H64D/V68X myoglobin
Biochemistry, 42, 2003
7W7J
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BU of 7w7j by Molmil
Crystal structure of IrCp* immobilized apo-R52H-rHLFr (25 equiv)
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Taher, M, Maity, B, Nakane, T, Abe, S, Mazumdar, S.
Deposit date:2021-12-05
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis.
Angew.Chem.Int.Ed.Engl., 61, 2022
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
5WQK
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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
8J6N
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BU of 8j6n by Molmil
Crystal structure of Cystathionine gamma-lyase in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ...
Authors:Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K.
Deposit date:2023-04-26
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
3ADE
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BU of 3ade by Molmil
Crystal Structure of Keap1 in Complex with Sequestosome-1/p62
Descriptor: Kelch-like ECH-associated protein 1, SULFATE ION, Sequestosome-1
Authors:Kurokawa, H, Yamamoto, M.
Deposit date:2010-01-19
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The selective autophagy substrate p62 activates the stress responsive transcription factor Nrf2 through inactivation of Keap1
Nat.Cell Biol., 12, 2010
7W3N
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BU of 7w3n by Molmil
Crystal structure of Ufm1 fused to UFBP1 UFIM
Descriptor: UFBP1 peptide,Ubiquitin-fold modifier 1
Authors:Noda, N.N.
Deposit date:2021-11-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The UFM1 system regulates ER-phagy through the ufmylation of CYB5R3.
Nat Commun, 13, 2022

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