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7MAD
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BU of 7mad by Molmil
HIV-1 Protease (I84V) in Complex with PD5 (LR4-22)
分子名称: Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HIV-1 Protease (I84V) in Complex with PD5 (LR4-22)
To Be Published
4NGZ
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BU of 4ngz by Molmil
Previously de-ionized HEW lysozyme crystallized in 0.5 M YbCl3/30% (v/v) glycerol and collected at 125K
分子名称: CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION
著者Benas, P, Legrand, L, Ries-Kautt, M.
登録日2013-11-03
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
7MAL
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BU of 7mal by Molmil
HIV-1 Protease (I84V) in Complex with PU8 (LR4-06)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献HIV-1 Protease (I84V) in Complex with PU8 (LR4-06)
To Be Published
7CB9
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BU of 7cb9 by Molmil
CYP76AH1/miltiradiene from Salvia miltiorrhiza
分子名称: Ferruginol synthase, Miltiradiene, PROTOPORPHYRIN IX CONTAINING FE
著者Chang, Z, Chao, S, Mingyue, G.
登録日2020-06-11
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CYP76AH1 from Salvia miltiorrhiza
To Be Published
7CCI
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BU of 7cci by Molmil
Acinetobacter baumannii response regulator AdeR with disordered N terminus
分子名称: AdeR, MAGNESIUM ION
著者Wen, Y.
登録日2020-06-17
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS.
Iscience, 24, 2021
7MAO
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BU of 7mao by Molmil
HIV-1 Protease (I84V) in Complex with PU10 (LR4-07)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease (I84V) in Complex with PU10 (LR4-07)
To Be Published
7MAC
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BU of 7mac by Molmil
HIV-1 Protease (I84V) in Complex with PD4 (LR4-23)
分子名称: Protease, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HIV-1 Protease (I84V) in Complex with PD4 (LR4-23)
To Be Published
7MAI
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BU of 7mai by Molmil
HIV-1 Protease (I84V) in Complex with PU5 (LR4-47)
分子名称: Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献HIV-1 Protease (I84V) in Complex with PU5 (LR4-47)
To Be Published
4NI0
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BU of 4ni0 by Molmil
Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound
分子名称: 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
登録日2013-11-05
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
6EZ7
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BU of 6ez7 by Molmil
Pes4 RRM3 Structure
分子名称: DI(HYDROXYETHYL)ETHER, Protein PES4
著者Mohamad, N, Bravo, J.
登録日2017-11-14
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pes4 RRM3 Structure
To Be Published
7M9R
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BU of 7m9r by Molmil
HIV-1 Protease WT (NL4-3) in Complex with LR4-44
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献HIV-1 Protease WT (NL4-3) in Complex with LR4-44
To Be Published
6EXR
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BU of 6exr by Molmil
CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI
分子名称: 120aa long hypothetical chemotaxis protein (CheY)
著者Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D.
登録日2017-11-09
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation.
Acta Crystallogr.,Sect.F, 75, 2019
4NJS
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BU of 4njs by Molmil
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease
著者Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H.
登録日2013-11-11
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
6F00
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BU of 6f00 by Molmil
Crystal Structure of human tRNA dihydrouridine synthase (20) dsRBD E423A mutant
分子名称: GLYCEROL, SULFATE ION, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
著者Charles, B.N, Djemel, H.
登録日2017-11-17
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献Crystal Structure of human tRNA-dihydrouridine(20) synthase dsRBD E423A mutant
To Be Published
7M9O
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BU of 7m9o by Molmil
HIV-1 Protease (I84V) in Complex with LR3-48
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
4NKX
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BU of 4nkx by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone
分子名称: PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
7M9M
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BU of 7m9m by Molmil
HIV-1 Protease WT (NL4-3) in Complex with LR3-55
分子名称: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
7MAG
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BU of 7mag by Molmil
HIV-1 Protease (I84V) in Complex with PU3 (LR3-69)
分子名称: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
7MAK
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BU of 7mak by Molmil
HIV-1 Protease (I84V) in Complex with PU7 (LR3-67)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
6F1A
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BU of 6f1a by Molmil
Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 20 min
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
7MAE
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BU of 7mae by Molmil
HIV-1 Protease (I84V) in Complex with PU1 (LR3-46)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
7M9N
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BU of 7m9n by Molmil
HIV-1 Protease (I84V) in Complex with LR3-68
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
4NNT
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BU of 4nnt by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
分子名称: 2,4,6-tri(propan-2-yl)benzoic acid, Fatty acid-binding protein, adipocyte
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2013-11-19
公開日2014-11-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The complex structure of FABP4 with novel inhibitors
To be Published
7M9P
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BU of 7m9p by Molmil
HIV-1 Protease (I84V) in Complex with LR3-55
分子名称: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
7M9I
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BU of 7m9i by Molmil
HIV-1 Protease (I84V) in Complex with LR2-26
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.817 Å)
主引用文献HIV-1 Protease (I84V) in Complex with LR2-26
To Be Published

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