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5TPH
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BU of 5tph by Molmil
Crystal structure of a de novo designed protein homodimer with curved beta-sheet
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, de novo NTF2 homodimer
著者Basanta, B, Marcos, E, Oberdorfer, G, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-10-20
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TS4
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BU of 5ts4 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: DI(HYDROXYETHYL)ETHER, denovo NTF2
著者Basanta, B, Oberdorfer, G, Chidyausiku, T.M, Marcos, E, Pereira, J.H, Sankaran, B, Zwart, P.H, Baker, D.
登録日2016-10-27
公開日2017-01-25
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TPJ
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BU of 5tpj by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: denovo NTF2
著者Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-10-20
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5U35
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BU of 5u35 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-METHOXYETHANOL, CHLORIDE ION, ...
著者Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Zwart, P.H, Baker, D.
登録日2016-12-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
115D
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BU of 115d by Molmil
ORDERED WATER STRUCTURE IN AN A-DNA OCTAMER AT 1.7 ANGSTROMS RESOLUTION
分子名称: DNA (5'-D(*GP*GP*(BRU)P*AP*(BRU)P*AP*CP*C)-3')
著者Kennard, O, Cruse, W.B.T, Nachman, J, Prange, T, Shakked, Z, Rabinovich, D.
登録日1993-02-12
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ordered water structure in an A-DNA octamer at 1.7 A resolution.
J.Biomol.Struct.Dyn., 3, 1986
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
著者Wright, K.M, Gabelli, S.B.
登録日2020-03-12
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
1IDJ
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BU of 1idj by Molmil
PECTIN LYASE A
分子名称: PECTIN LYASE A
著者Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J.
登録日1996-10-04
公開日1997-10-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases.
Structure, 5, 1997
1IDK
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BU of 1idk by Molmil
PECTIN LYASE A
分子名称: PECTIN LYASE A
著者Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J.
登録日1996-10-04
公開日1997-10-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases.
Structure, 5, 1997
8FYA
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BU of 8fya by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-containing prespacer complex
分子名称: Cas1, Cas2-DEDDh, DNA (28-MER), ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYB
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BU of 8fyb by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex
分子名称: Cas1, Cas2-DEDDh, DNA (17-MER), ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYC
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BU of 8fyc by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex linear CRISPR repeat conformation
分子名称: Cas1, Cas2-DEDDh, DEDDh, ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FY9
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BU of 8fy9 by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-deficient prespacer complex
分子名称: Cas1, Cas2-DEDDh, DNA (28-MER)
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYD
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BU of 8fyd by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex bent CRISPR repeat conformation
分子名称: Cas1, Cas2-DEDDh, DNA (13-MER), ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
分子名称: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
著者Kulathila, R, Monovich, L, Koehn, J.
登録日2008-09-22
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
1BN8
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BU of 1bn8 by Molmil
BACILLUS SUBTILIS PECTATE LYASE
分子名称: CALCIUM ION, PROTEIN (PECTATE LYASE)
著者Pickersgill, R, Harris, G, Jenkins, J.
登録日1998-07-31
公開日1998-08-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of Bacillus subtilis pectate lyase in complex with calcium.
Nat.Struct.Biol., 1, 1994
5IXE
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BU of 5ixe by Molmil
1.75A RESOLUTION STRUCTURE OF 5-Fluoroindole BOUND BETA-GLYCOSIDASE (W33G) FROM SULFOLOBUS SOLFATARICUS
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-1H-indole, Beta-galactosidase, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Budiardjo, S.J, Karanicolas, J.
登録日2016-03-23
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Full and Partial Agonism of a Designed Enzyme Switch.
ACS Synth Biol, 5, 2016
7MT4
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BU of 7mt4 by Molmil
Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMMONIUM ION, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MT5
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BU of 7mt5 by Molmil
Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MT6
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BU of 7mt6 by Molmil
Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
1HR2
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BU of 1hr2 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A MUTANT P4-P6 DOMAIN (DELC209) OF TETRAHYMENA THEMOPHILA GROUP I INTRON.
分子名称: MAGNESIUM ION, P4-P6 DELC209 MUTANT RNA RIBOZYME DOMAIN
著者Juneau, K, Podell, E.R, Harrington, D.J, Cech, T.R.
登録日2000-12-20
公開日2001-04-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of the enhanced stability of a mutant ribozyme domain and a detailed view of RNA--solvent interactions.
Structure, 9, 2001
7ZAY
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BU of 7zay by Molmil
Human heparan sulfate polymerase complex EXT1-EXT2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-1, Exostosin-2, ...
著者Leisico, F, Omeiri, J, Hons, M, Schoehn, G, Lortat-Jacob, H, Wild, R.
登録日2022-03-23
公開日2022-12-07
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the human heparan sulfate polymerase complex EXT1-EXT2.
Nat Commun, 13, 2022
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
4TRO
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BU of 4tro by Molmil
Structure of the enoyl-ACP reductase of Mycobacterium tuberculosis InhA, inhibited with the active metabolite of isoniazid
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
4TRM
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BU of 4trm by Molmil
Structure of the apo form of InhA from Mycobacterium tuberculosis
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
4TRN
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BU of 4trn by Molmil
STRUCTURE OF INHA FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED TO NADH
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, INHA, ...
著者Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015

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