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5XPE
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BU of 5xpe by Molmil
Neutron structure of the T26H mutant of T4 lysozyme
Descriptor: CHLORIDE ION, Endolysin, SODIUM ION
Authors:Hiromoto, T, Kuroki, R.
Deposit date:2017-06-01
Release date:2017-10-04
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.648 Å), X-RAY DIFFRACTION
Cite:Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type.
Protein Sci., 26, 2017
5XPF
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BU of 5xpf by Molmil
High-resolution X-ray structure of the T26H mutant of T4 lysozyme
Descriptor: CHLORIDE ION, Endolysin, GLYCEROL, ...
Authors:Hiromoto, T, Kuroki, R.
Deposit date:2017-06-01
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type.
Protein Sci., 26, 2017
3WS4
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BU of 3ws4 by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-2A)
Descriptor: Beta-lactamase, CHLORIDE ION, STRONTIUM ION
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-28
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WRT
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BU of 3wrt by Molmil
Wild type beta-lactamase DERIVED FROM CHROMOHALOBACTER SP.560
Descriptor: Beta-lactamase
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WS2
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BU of 3ws2 by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1C)
Descriptor: Beta-lactamase, CALCIUM ION, CESIUM ION
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WS1
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BU of 3ws1 by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1B)
Descriptor: Beta-lactamase, CALCIUM ION, CESIUM ION
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WS5
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BU of 3ws5 by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-2B)
Descriptor: Beta-lactamase, CALCIUM ION, CHLORIDE ION, ...
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-28
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WS0
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BU of 3ws0 by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1A)
Descriptor: Beta-lactamase, CALCIUM ION, CESIUM ION, ...
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WRZ
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BU of 3wrz by Molmil
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (without soaking)
Descriptor: Beta-lactamase, CALCIUM ION, CHLORIDE ION
Authors:Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3WRY
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BU of 3wry by Molmil
Crystal structure of helicase complex 2
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Matsumura, H, Katoh, E.
Deposit date:2014-02-27
Release date:2014-08-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 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
3WRX
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BU of 3wrx by Molmil
Crystal structure of helicase complex 1
Descriptor: CESIUM ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Matsumura, H, Katoh, E.
Deposit date:2014-02-27
Release date:2014-08-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 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
6KLA
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BU of 6kla by Molmil
Crystal structure of human c-KIT kinase domain in complex with compound 15a
Descriptor: Mast/stem cell growth factor receptor Kit, N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
Authors:Wu, T.S, Peng, Y.H, Hsueh, C.C, Wu, S.Y.
Deposit date:2019-07-30
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:Identification of a Multitargeted Tyrosine Kinase Inhibitor for the Treatment of Gastrointestinal Stromal Tumors and Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
6KMC
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BU of 6kmc by Molmil
Crystal structure of a Streptococcal protein G B1 mutant
Descriptor: ACETIC ACID, Immunoglobulin G-binding protein G B1
Authors:Watanabe, H, Honda, S.
Deposit date:2019-07-31
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Histidine-Mediated Intramolecular Electrostatic Repulsion for Controlling pH-Dependent Protein-Protein Interaction.
Acs Chem.Biol., 14, 2019
6KOF
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BU of 6kof by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47
Descriptor: 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, S.Y.
Deposit date:2019-08-09
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.263 Å)
Cite:Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
6KW7
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BU of 6kw7 by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12
Descriptor: 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, S.Y.
Deposit date:2019-09-06
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
6KPS
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BU of 6kps by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36
Descriptor: 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, S.Y.
Deposit date:2019-08-16
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
5WJA
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BU of 5wja by Molmil
Crystal structure of H107A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate
Descriptor: CITRATE ANION, COPPER (II) ION, GLYCEROL, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-07-21
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5WKW
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BU of 5wkw by Molmil
Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-07-25
Release date:2018-07-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5WM0
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BU of 5wm0 by Molmil
Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide (peptide not observed)
Descriptor: Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-07-28
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5WS7
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BU of 5ws7 by Molmil
Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 2-oxo-dATP
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Authors:Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
Deposit date:2016-12-05
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
5WKU
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BU of 5wku by Molmil
Structure of an acid sensing ion channel in a resting state with barium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ...
Authors:Yoder, N, Gouaux, E.
Deposit date:2017-07-25
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Gating mechanisms of acid-sensing ion channels.
Nature, 555, 2018
5WKV
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BU of 5wkv by Molmil
Structure of an acid sensing ion channel in a resting state with calcium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ...
Authors:Yoder, N, Gouaux, E.
Deposit date:2017-07-25
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Gating mechanisms of acid-sensing ion channels.
Nature, 555, 2018
5GHI
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BU of 5ghi by Molmil
Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION
Authors:Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
Deposit date:2016-06-20
Release date:2017-01-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.211 Å)
Cite:Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017

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