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7KMZ
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BU of 7kmz by Molmil
Cryo-EM structure of double ACE2-bound SARS-CoV-2 trimer Spike at pH 7.4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-11-03
公開日2020-12-09
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6GBB
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BU of 6gbb by Molmil
Copper nitrite reductase from Achromobacter cycloclastes: large cell polymorph dataset 1
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A.
登録日2018-04-13
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 75, 2019
7L61
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BU of 7l61 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with L-fucose-(alpha 1-2)-D-galactose-(beta1-4)-D-glucose
分子名称: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Weis, W.I, Feinberg, H.
登録日2020-12-23
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
7QU0
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BU of 7qu0 by Molmil
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
分子名称: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ...
著者Stegmann, D, Steuber, J, Fritz, G.
登録日2022-01-17
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
6GBY
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BU of 6gby by Molmil
Copper nitrite reductase from Achromobacter cycloclastes: non-polymorph separated dataset 1
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A.
登録日2018-04-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 75, 2019
8FH5
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BU of 8fh5 by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-001
分子名称: (8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid, Aldo-keto reductase family 1 member B1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Arenas, R, Wilson, D.K.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-001
To Be Published
8FH6
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BU of 8fh6 by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Two AT-001
分子名称: (8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B1, ...
著者Arenas, R, Wilson, D.K.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Two AT-001
To Be Published
8FH7
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BU of 8fh7 by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Arenas, R, Wilson, D.K.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003
To Be Published
8FH9
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BU of 8fh9 by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-007
分子名称: (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)acetic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B1, ...
著者Arenas, R, Wilson, D.K.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-007
To Be Published
8FH8
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BU of 8fh8 by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003 Soaked In Hydrogen Peroxide
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B1, HYDROGEN PEROXIDE, ...
著者Arenas, R, Wilson, D.K.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003 Soaked In Hydrogen Peroxide
To Be Published
7KJV
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BU of 7kjv by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core
分子名称: HIV-1 viral RNA fragment, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
登録日2020-10-26
公開日2021-03-17
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
5IVX
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BU of 5ivx by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Natarajan, K, Jiang, J, Margulies, D.
登録日2016-03-21
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
7WPO
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BU of 7wpo by Molmil
Structure of NeoCOV RBD binding to Bat37 ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
7WPZ
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BU of 7wpz by Molmil
Structure of PDF-2180-COV RBD binding to Bat37 ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
6STO
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BU of 6sto by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ...
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
5LFN
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BU of 5lfn by Molmil
Crystal structure of human chondroadherin
分子名称: CHLORIDE ION, Chondroadherin
著者Ramisch, S, Pramhed, A, Logan, D.T.
登録日2016-07-03
公開日2016-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human chondroadherin: solving a difficult molecular-replacement problem using de novo models.
Acta Crystallogr D Struct Biol, 73, 2017
6G8S
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BU of 6g8s by Molmil
[Ru(TAP)2(11,12-CN2-dppz)]2+ bound to d(CCGGACCCGG/CCGGGTCCGG)2
分子名称: BARIUM ION, DNA (5'-D(*CP*CP*GP*GP*AP*CP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*GP*TP*CP*CP*GP*G)-3'), ...
著者McQuaid, K.T, Hall, J.P, Cardin, C.J.
登録日2018-04-09
公開日2019-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.
Chemistry, 24, 2018
8CUL
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BU of 8cul by Molmil
Xray ray crystal structure of OXA-24/40 in complex with CR167
分子名称: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase
著者Fernando, M.C, Wallar, B.J, Powers, R.A.
登録日2022-05-17
公開日2023-04-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
8CUO
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BU of 8cuo by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e
分子名称: 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
著者Fernando, M.C, Wallar, B.J, Powers, R.A.
登録日2022-05-17
公開日2023-04-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
8CUM
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BU of 8cum by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d
分子名称: 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
著者Fernando, M.C, Wallar, B.J, Powers, R.A.
登録日2022-05-17
公開日2023-04-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
6T8F
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BU of 6t8f by Molmil
Crystal structure of mutant xylose isomerase (V270A/A273G) from Piromyces E2 grown in yeast, in complex with xylose
分子名称: CALCIUM ION, D-xylose, SULFATE ION, ...
著者Rozeboom, H.J, Janssen, D.B.
登録日2019-10-24
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based directed evolution improves S. cerevisiae growth on xylose by influencing in vivo enzyme performance.
Biotechnol Biofuels, 13, 2020
6TN1
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BU of 6tn1 by Molmil
Unliganded Crystal Structure of Recombinant GBA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ...
著者Rowland, R.J, Davies, G.J.
登録日2019-12-05
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6GCG
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BU of 6gcg by Molmil
Copper nitrite reductase from Achromobacter cycloclastes: large polymorph dataset 15
分子名称: COPPER (II) ION, Copper-containing nitrite reductase
著者Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A.
登録日2018-04-17
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.80015242 Å)
主引用文献Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 75, 2019
6PUL
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BU of 6pul by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU
分子名称: 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6GF0
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BU of 6gf0 by Molmil
Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip
分子名称: Lysozyme C
著者Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I.
登録日2018-04-27
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018

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