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4XKP
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BU of 4xkp by Molmil
Crystal structure of NikA from Staphylococcus aureus in complex with Ni(L-His)2 (co-crystallization with Ni(II) and BHI medium supernatant)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HISTIDINE, ...
著者Lebrette, H, Cavazza, C.
登録日2015-01-12
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel insights into nickel import in Staphylococcus aureus: the positive role of free histidine and structural characterization of a new thiazolidine-type nickel chelator.
Metallomics, 7, 2015
4XKR
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BU of 4xkr by Molmil
Crystal structure of NikA from Staphylococcus aureus in complex with Ni-(L-His)(2-methyl-thiazolidine dicarboxylate) (co-crystallization with Ni(II) and CDdeltaHis medium supernatant)
分子名称: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Lebrette, H, Cavazza, C.
登録日2015-01-12
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel insights into nickel import in Staphylococcus aureus: the positive role of free histidine and structural characterization of a new thiazolidine-type nickel chelator.
Metallomics, 7, 2015
4XKQ
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BU of 4xkq by Molmil
Crystal structure of NikA from Staphylococcus aureus in complex with Ni(L-His)2 (co-crystallization with Ni(II) and CD medium supernatant)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HISTIDINE, ...
著者Lebrette, H, Cavazza, C.
登録日2015-01-12
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel insights into nickel import in Staphylococcus aureus: the positive role of free histidine and structural characterization of a new thiazolidine-type nickel chelator.
Metallomics, 7, 2015
5W4L
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BU of 5w4l by Molmil
Crystal structure of the non-neutralizing and ADCC-potent C11-like antibody N12-i3 in complex with HIV-1 clade A/E gp120, the CD4 mimetic M48U1, and the antibody N5-i5.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody N12-i3 Fab heavy chain, Antibody N12-i3 light chain, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-06-12
公開日2017-11-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Targeting the Late Stage of HIV-1 Entry for Antibody-Dependent Cellular Cytotoxicity: Structural Basis for Env Epitopes in the C11 Region.
Structure, 25, 2017
2UAG
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BU of 2uag by Molmil
UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), ...
著者Bertrand, J, Fanchon, E, Dideberg, O.
登録日1999-02-23
公開日2000-02-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
1E0D
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BU of 1e0d by Molmil
UDP-N-Acetylmuramoyl-L-Alanine:D-Glutamate Ligase
分子名称: SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
著者Fanchon, E, Bertrand, J, Chantalat, L, Dideberg, O.
登録日2000-03-24
公開日2000-06-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献"Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase.
J.Mol.Biol., 301, 2000
7KQP
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BU of 7kqp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQW
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BU of 7kqw by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQO
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BU of 7kqo by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR0
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BU of 7kr0 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR1
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BU of 7kr1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
3CUR
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BU of 3cur by Molmil
Structure of a double methionine mutant of NI-FE hydrogenase
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Volbeda, A.
登録日2008-04-17
公開日2008-08-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CUS
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BU of 3cus by Molmil
Structure of a double ILE/PHE mutant of NI-FE hydrogenase refined at 2.2 angstrom resolution
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Volbeda, A.
登録日2008-04-17
公開日2008-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
6XLP
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BU of 6xlp by Molmil
Structure of the essential inner membrane lipopolysaccharide-PbgA complex
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose-(6-1)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)]1,5-anhydro-2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-D-glucitol, ...
著者Payandeh, J, Clairefeuille, T.
登録日2020-06-29
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the essential inner membrane lipopolysaccharide-PbgA complex.
Nature, 584, 2020
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K5Z
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BU of 4k5z by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K69
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BU of 4k69 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
分子名称: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4H8W
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BU of 4h8w by Molmil
Crystal structure of non-neutralizing and ADCC-potent antibody N5-i5 in complex with HIV-1 clade A/E gp120 and sCD4.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB HEAVY CHAIN OF ADCC AND NON-NEUTRALIZING ANTI-HIV-1 ANTIBODY N5-I5, ...
著者Tolbert, W.D, Acharya, P, Kwong, P.D, Pazgier, M.
登録日2012-09-24
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
4IW4
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BU of 4iw4 by Molmil
Crystal structure of the serine protease domain of MASP-3 in complex with ecotin
分子名称: Ecotin, Mannan-binding lectin serine protease 3
著者Gaboriaud, C.
登録日2013-01-23
公開日2013-06-19
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Serine Protease Domain of MASP-3: Enzymatic Properties and Crystal Structure in Complex with Ecotin.
Plos One, 8, 2013
4KA2
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BU of 4ka2 by Molmil
Crystal structure of CD4-mimetic miniprotein M48U12 in complex with HIV-1 YU2 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120, M48U12
著者Acharya, P, Kwong, P.D.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Interfacial Cavity Filling To Optimize CD4-Mimetic Miniprotein Interactions with HIV-1 Surface Glycoprotein.
J.Med.Chem., 56, 2013
4LAJ
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BU of 4laj by Molmil
Crystal structure of HIV-1 YU2 envelope gp120 glycoprotein in complex with CD4-mimetic miniprotein, M48U1, and llama single-domain, broadly neutralizing, co-receptor binding site antibody, JM4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ...
著者Acharya, P, Luongo, T.S, Kwong, P.D.
登録日2013-06-20
公開日2013-08-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Heavy Chain-Only IgG2b Llama Antibody Effects Near-Pan HIV-1 Neutralization by Recognizing a CD4-Induced Epitope That Includes Elements of Coreceptor- and CD4-Binding Sites.
J.Virol., 87, 2013
1UAG
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BU of 1uag by Molmil
UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
分子名称: SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE/:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
著者Bertrand, J, Fanchon, E, Dideberg, O.
登録日1997-03-13
公開日1998-03-18
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase from Escherichia coli.
EMBO J., 16, 1997
1YQW
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BU of 1yqw by Molmil
Structure of the Oxidized Unready Form of Ni-Fe Hydrogenase
分子名称: BICARBONATE ION, CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, ...
著者Volbeda, A.
登録日2005-02-02
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural differences between the ready and unready oxidized states of [NiFe] hydrogenases.
J.Biol.Inorg.Chem., 10, 2005
2WNP
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BU of 2wnp by Molmil
M-ficolin mutant Y271F
分子名称: CALCIUM ION, FICOLIN-1, ISOPROPYL ALCOHOL
著者Gout, E, Garlatti, V, Smith, D.F, Lacroix, M, Dumestre-Perard, C, Lunardi, T, Arlaud, G.J, Gaboriaud, C, Thielens, N.M.
登録日2009-07-16
公開日2009-12-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Carbohydrate Recognition Properties of Human Ficolins: Glycan Array Screening Reveals the Sialic Acid Binding Specificity of M-Ficolin.
J.Biol.Chem., 285, 2010
4R4B
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BU of 4r4b by Molmil
Crystal structure of the anti-hiv-1 antibody 2.2c
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 2.2C HEAVY CHAIN, FAB 2.2C LIGHT CHAIN, ...
著者McLellan, J.S, Acharya, P, Huang, C.-C, Robinson, J, Kwong, P.D.
登録日2014-08-19
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014

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