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9H4G
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BU of 9h4g by Molmil
trans-aconitate decarboxylase Tad1-R360A binding with trans-aconitate
分子名称: ACONITATE ION, Trans-aconitate decarboxylase 1
著者Zheng, L, Bang, G.
登録日2024-10-18
公開日2025-03-19
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
9H4E
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BU of 9h4e by Molmil
trans-aconitate decarboxylase Tad1- wild type binding with glycerol
分子名称: GLYCEROL, MAGNESIUM ION, Trans-aconitate decarboxylase 1
著者Zheng, L, Bang, G.
登録日2024-10-18
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
9EYS
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BU of 9eys by Molmil
Structure of Far-Red Photosystem I from C. thermalis PCC 7203
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Consoli, G, Tufaill, F, Murray, J.W, Fantuzzi, A, Rutherford, A.W.
登録日2024-04-09
公開日2025-04-23
実験手法ELECTRON MICROSCOPY (2.01 Å)
主引用文献Structure of Far-Red Photosystem I from C. thermalis PCC 7203
To Be Published
8B0W
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BU of 8b0w by Molmil
Galectin-1 in Complex with Ligand MG49
分子名称: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
著者Grimm, C, Mut, J, Seibel, J.
登録日2022-09-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Galectin-1 in Complex with Ligand MG49
To Be Published
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
著者Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
登録日2022-09-05
公開日2023-09-13
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
8B22
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BU of 8b22 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 300-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B23
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BU of 8b23 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 600-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.84 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B21
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BU of 8b21 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+
分子名称: DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ...
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B24
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BU of 8b24 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ...
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (4.53 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8CD8
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BU of 8cd8 by Molmil
Ulilysin - C269A with AEBSF complex
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, GLY-SER-SER, ...
著者Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X.
登録日2023-01-30
公開日2023-03-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases.
Dalton Trans, 52, 2023
8CEM
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BU of 8cem by Molmil
Structure of bovine native C3, re-refinement
分子名称: Complement C3 alpha chain, Complement C3 beta chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Andersen, G.R, Fredslund, F.
登録日2023-02-02
公開日2023-04-05
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of bovine complement component 3 reveals the basis for thioester function.
J.Mol.Biol., 361, 2006
8C3P
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BU of 8c3p by Molmil
Crystal structure of autotaxin gamma in complex with LPA 18:1
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 7alpha-hydroxycholesterol, CALCIUM ION, ...
著者Eymery, M.C, McCarthy, A.A.
登録日2022-12-28
公開日2023-11-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C3O
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BU of 8c3o by Molmil
Crystal structure of autotaxin gamma and compound MEY-003
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
著者Eymery, M.C, McCarthy, A.A.
登録日2022-12-27
公開日2023-11-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C7R
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BU of 8c7r by Molmil
Crystal structure of rat autotaxin and compound MEY-003
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
著者Eymery, M.C, McCarthy, A.A.
登録日2023-01-17
公開日2023-11-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C4W
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BU of 8c4w by Molmil
Crystal structure of rat autotaxin and compound MEY-002
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ...
著者Eymery, M.C, McCarthy, A.A.
登録日2023-01-05
公開日2023-11-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
9GU3
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BU of 9gu3 by Molmil
Human adult muscle nAChR in desensitised state in nanodisc with 1 mM acetylcholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y.
登録日2024-09-18
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
8D86
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BU of 8d86 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Snow, C.D.
登録日2022-06-07
公開日2023-06-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
8D8M
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BU of 8d8m by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence grown in a calcium chloride crystallization solution.
分子名称: CALCIUM ION, DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3'), DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), ...
著者Orun, A.R, Snow, C.D.
登録日2022-06-08
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Designed crystalline assemblies of protein and DNA enable site-specific installation of a guest protein, DNA, and small molecule.
To Be Published
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
分子名称: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
9GU1
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BU of 9gu1 by Molmil
Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin
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, Acetylcholine receptor subunit alpha, ...
著者Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y.
登録日2024-09-18
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
9GU2
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BU of 9gu2 by Molmil
Human adult muscle nAChR in desensitised state in nanodisc with 100 uM acetylcholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y.
登録日2024-09-18
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
9H4H
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BU of 9h4h by Molmil
trans-aconitate decarboxylase Tad1_S320A
分子名称: Trans-aconitate decarboxylase 1
著者Zheng, L, Bange, G.
登録日2024-10-18
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
9EOI
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BU of 9eoi by Molmil
Crystal structure of the GH19 endolysin from Pseudomonas aeruginosa
分子名称: CITRATE ANION, Putative lytic enzyme
著者Edvardsen, P.K.T, Englund, A.N.B, Rohr, A.K, Vaaje-Kolstad, G.
登録日2024-03-14
公開日2025-02-19
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Characterization of the lytic enzyme of Pseudomonas aeruginosa
To Be Published
8PFF
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BU of 8pff by Molmil
Galectin-3C in complex with a triazolesulfone derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
著者Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
登録日2023-06-15
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023

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件を2025-07-09に公開中

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