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7ZCQ
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BU of 7zcq by Molmil
Nitrite-bound MSOX movie series dataset 25 (20 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - NO/water intermediate
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-03-28
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZCN
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BU of 7zcn by Molmil
Nitrite-bound MSOX movie series dataset 1 (0.8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite (start)
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-03-28
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
分子名称: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2013-12-21
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
5NX4
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BU of 5nx4 by Molmil
Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus
分子名称: GLYCEROL, Pentalenene synthase
著者Karuppiah, V, Leys, D, Scrutton, N.S.
登録日2017-05-09
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
7NB4
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BU of 7nb4 by Molmil
Structure of Mcl-1 complex with compound 1
分子名称: (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
7NB7
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BU of 7nb7 by Molmil
Structure of Mcl-1 complex with compound 6b
分子名称: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
2M9U
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BU of 2m9u by Molmil
Solution NMR structure of the C-terminal domain (CTD) of Moloney murine leukemia virus integrase, Northeast Structural Genomics Target OR41A
分子名称: Integrase p46
著者Aiyer, S, Rossi, P, Schneider, W.M, Chander, A, Roth, M.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-19
公開日2013-12-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Altering murine leukemia virus integration through disruption of the integrase and BET protein family interaction.
Nucleic Acids Res., 42, 2014
5NX5
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BU of 5nx5 by Molmil
Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus in complex with 2-fluorogeranyl diphosphate
分子名称: (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, CHLORIDE ION, GLYCEROL, ...
著者Karuppiah, V, Leys, D, Scrutton, N.S.
登録日2017-05-09
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
5VOJ
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BU of 5voj by Molmil
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
分子名称: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2017-05-03
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
3QOF
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BU of 3qof by Molmil
Crystal structure of the cytosolic domain of human atlastin-1 in complex with GDP, orthorhombic form
分子名称: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Liu, X.
登録日2011-02-09
公開日2011-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Structures of the atlastin GTPase provide insight into homotypic fusion of endoplasmic reticulum membranes.
Proc.Natl.Acad.Sci.USA, 108, 2011
7LEZ
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BU of 7lez by Molmil
Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:2 mAb1 complex
分子名称: Arginase-1, MANGANESE (II) ION, mAb1 heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LEY
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BU of 7ley by Molmil
Trimeric human Arginase 1 in complex with mAb5
分子名称: Arginase-1, MANGANESE (II) ION, mAb5 heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LEX
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BU of 7lex by Molmil
Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:3 mAb1 complex
分子名称: Arginase-1, mAb1 heavy chain, mAb1 light chain
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LF2
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BU of 7lf2 by Molmil
Trimeric human Arginase 1 in complex with mAb4
分子名称: Arginase-1, MANGANESE (II) ION, mAb4 monoclonal antibody heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LF0
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BU of 7lf0 by Molmil
Trimeric human Arginase 1 in complex with mAb2
分子名称: Arginase-1, mAb2 heavy chain, mAb2 light chain
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LF1
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BU of 7lf1 by Molmil
Trimeric human Arginase 1 in complex with mAb3
分子名称: Arginase-1, MANGANESE (II) ION, mAb3 heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
8FZ4
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BU of 8fz4 by Molmil
The von Willebrand factor A domain of Anthrax toxin receptor 2
分子名称: Anthrax toxin receptor 2, CHLORIDE ION, MAGNESIUM ION
著者Pedroza-Romo, M.J, Soleimani, S, Lewis, A, Smith, T, Brown, S, Doukov, T, Moody, J.D.
登録日2023-01-27
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
8FD8
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BU of 8fd8 by Molmil
human 15-PGDH with NADH bound
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)]
著者Huang, W, Taylor, D.
登録日2022-12-02
公開日2023-03-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
3T3Y
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BU of 3t3y by Molmil
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
分子名称: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-25
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
2Q2N
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BU of 2q2n by Molmil
Crystal structure of Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
分子名称: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
著者Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
登録日2007-05-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
7F3U
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BU of 7f3u by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-free state
分子名称: Transmembrane protein 120A
著者Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F.
登録日2021-06-17
公開日2021-06-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
7F3T
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BU of 7f3t by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-bound state
分子名称: COENZYME A, Transmembrane protein 120A
著者Song, D.F, Rong, Y, Liu, Z.F.
登録日2021-06-17
公開日2021-06-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
5Z4E
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BU of 5z4e by Molmil
An anthrahydroquino-Gama-pyrone synthase Txn09
分子名称: TxnO9
著者Song, Y.J, Cao, C.Y.
登録日2018-01-11
公開日2018-12-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Enzymology of Anthraquinone-gamma-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z4F
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BU of 5z4f by Molmil
An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with SUM
分子名称: 1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione, TxnO9
著者Song, Y.J, Cao, C.Y.
登録日2018-01-11
公開日2019-01-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Enzymology of Anthraquinone-gamma-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 57, 2018
8A5I
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BU of 8a5i by Molmil
Cryo-EM structure of Lincomycin bound to the Listeria monocytogenes 50S ribosomal subunit.
分子名称: 1,4-DIAMINOBUTANE, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Koller, T.O, Crowe-McAuliffe, C, Wilson, D.N.
登録日2022-06-15
公開日2022-11-02
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis for HflXr-mediated antibiotic resistance in Listeria monocytogenes.
Nucleic Acids Res., 50, 2022

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