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6AFO
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BU of 6afo by Molmil
Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, from Burkholderia thailandensis
分子名称: Beta-lactamase
著者Cao, T.-P, Choi, J.M, Lee, S.H.
登録日2018-08-08
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs.
Front Mol Biosci, 2020
6AFP
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BU of 6afp by Molmil
Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid
分子名称: ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Cao, T.-P, Choi, J.M, Lee, S.H.
登録日2018-08-08
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs.
Front Mol Biosci, 2020
6AFN
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BU of 6afn by Molmil
Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid
分子名称: Beta-lactamase, GLYCEROL, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Cao, T.-P, Choi, J.M, Lee, S.H.
登録日2018-08-08
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs.
Front Mol Biosci, 2020
6JN8
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BU of 6jn8 by Molmil
Structure of H216A mutant open form peptidoglycan peptidase
分子名称: Peptidase M23, SULFATE ION, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMZ
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BU of 6jmz by Molmil
Structure of H247A mutant open form peptidoglycan peptidase
分子名称: Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMX
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BU of 6jmx by Molmil
Structure of open form of peptidoglycan peptidase
分子名称: D(-)-TARTARIC ACID, GLYCEROL, Peptidase M23, ...
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JN1
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BU of 6jn1 by Molmil
Structure of H247A mutant peptidoglycan peptidase complex with penta peptide
分子名称: C0O-DAL-DAL, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JN0
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BU of 6jn0 by Molmil
Structure of H247A mutant peptidoglycan peptidase complex with tetra-tri peptide
分子名称: C0O-DAL-API, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.164 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JN7
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BU of 6jn7 by Molmil
Structure of H216A mutant closed form peptidoglycan peptidase
分子名称: D(-)-TARTARIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMY
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BU of 6jmy by Molmil
Structure of wild type closed form of peptidoglycan peptidase
分子名称: CITRIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.661 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6KGY
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BU of 6kgy by Molmil
HOCl-induced flavoprotein disulfide reductase RclA from Escherichia coli
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulphide oxidoreductase dimerisation region
著者Baek, Y, Ha, N.-C.
登録日2019-07-12
公開日2020-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and function of the hypochlorous acid-induced flavoprotein RclA fromEscherichia coli.
J.Biol.Chem., 295, 2020
6KOD
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BU of 6kod by Molmil
Cu(II) complex of HOCl-induced flavoprotein disulfide reductase RclA C43S mutant from Escherichia coli
分子名称: CHLORIDE ION, COPPER (II) ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Baek, Y, Ha, N.-C.
登録日2019-08-09
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and function of the hypochlorous acid-induced flavoprotein RclA fromEscherichia coli.
J.Biol.Chem., 295, 2020
6KV1
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BU of 6kv1 by Molmil
Structure of wild type closed form of peptidoglycan peptidase ZN SAD
分子名称: CITRIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-09-03
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.722 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6KYY
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BU of 6kyy by Molmil
Cu(II) complex of HOCl-induced flavoprotein disulfide reductase RclA from Escherichia coli
分子名称: CHLORIDE ION, COPPER (II) ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Baek, Y, Ha, N.-C.
登録日2019-09-20
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and function of the hypochlorous acid-induced flavoprotein RclA fromEscherichia coli.
J.Biol.Chem., 295, 2020
5Z2W
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BU of 5z2w by Molmil
Crystal structure of the bacterial cell division protein FtsQ and FtsB
分子名称: Cell division protein FtsB, Cell division protein FtsQ, MAGNESIUM ION
著者Choi, Y, Yoon, H.J, Lee, H.H.
登録日2018-01-04
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into the FtsQ/FtsB/FtsL Complex, a Key Component of the Divisome.
Sci Rep, 8, 2018
7DNP
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BU of 7dnp by Molmil
Structure of Brucella abortus SagA
分子名称: (2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid, Secretion activator protein, hypothetical
著者Hyun, Y, Ha, N.-C.
登録日2020-12-10
公開日2021-06-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of the Autolysin SagA in the Type IV Secretion System of Brucella abortus .
Mol.Cells, 44, 2021
7DPY
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BU of 7dpy by Molmil
Structure of Brucella abortus PhiA
分子名称: Brucella Abortus PhiA
著者Hyun, Y, Ha, N.-C.
登録日2020-12-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Function of the Autolysin SagA in the Type IV Secretion System of Brucella abortus .
Mol.Cells, 44, 2021
7AXU
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BU of 7axu by Molmil
Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
分子名称: WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXQ
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BU of 7axq by Molmil
Structure of the cryo-trapped WDR5:CS-VIP8 cocrystal after illumination at 405 nm and 180 K
分子名称: CS-VIP8, WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.562 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXP
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BU of 7axp by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 2
分子名称: CS-VIP8, WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXX
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BU of 7axx by Molmil
Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature
分子名称: (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXS
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BU of 7axs by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
分子名称: CS-VIP8, (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
6B3W
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BU of 6b3w by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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件を2024-08-07に公開中

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