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7TDI
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BU of 7tdi by Molmil
Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 2 (Dataset-A)
分子名称: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ...
著者Nayak, A.R, Samso, M.
登録日2021-12-31
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM.
Elife, 11, 2022
2BO6
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BU of 2bo6 by Molmil
DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
分子名称: (2R)-2,3-DIHYDROXYPROPANOIC ACID, MANGANESE (II) ION, MANNOSYLGLYCERATE SYNTHASE
著者Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
登録日2005-04-08
公開日2005-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase
Nat.Struct.Mol.Biol., 12, 2005
6YKO
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BU of 6yko by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11a
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-04-06
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
7TB3
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BU of 7tb3 by Molmil
cryo-EM structure of MBP-KIX-apoferritin
分子名称: Isoform 2 of CREB-binding protein,Ferritin heavy chain, N-terminally processed
著者Zhang, K, Horikoshi, N, Li, S, Powers, A, Hameedi, M, Pintilie, G, Chae, H, Khan, Y, Suomivuori, C, Dror, R, Sakamoto, K, Chiu, W, Wakatsuki, S.
登録日2021-12-21
公開日2022-03-16
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Cryo-EM, Protein Engineering, and Simulation Enable the Development of Peptide Therapeutics against Acute Myeloid Leukemia.
Acs Cent.Sci., 8, 2022
4INZ
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BU of 4inz by Molmil
The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Soluble epoxide hydrolase
著者Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2013-01-07
公開日2014-02-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
7TBH
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BU of 7tbh by Molmil
cryo-EM structure of MBP-KIX-apoferritin complex with peptide 7
分子名称: Isoform 2 of CREB-binding protein,Ferritin heavy chain, N-terminally processed, LEU-SER-ARG-ARG-PRO-SEP-TYR-ARG-LYS-ILE-LEU-ASN-ASP-LEU-SER-SER-ASP-ALA-PRO
著者Zhang, K, Horikoshi, N, Li, S, Powers, A, Hameedi, M, Pintilie, G, Chae, H, Khan, Y, Suomivuori, C, Dror, R, Sakamoto, K, Chiu, W, Wakatsuki, S.
登録日2021-12-22
公開日2022-03-16
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Cryo-EM, Protein Engineering, and Simulation Enable the Development of Peptide Therapeutics against Acute Myeloid Leukemia.
Acs Cent.Sci., 8, 2022
6BOA
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BU of 6boa by Molmil
Cryo-EM structure of human TRPV6-R470E in amphipols
分子名称: Transient receptor potential cation channel subfamily V member 6
著者McGoldrick, L.L, Singh, A.K, Saotome, K, Yelshanskaya, M.V, Twomey, E.C, Grassucci, R.A, Sobolevsky, A.I.
登録日2017-11-18
公開日2017-12-20
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Opening of the human epithelial calcium channel TRPV6.
Nature, 553, 2018
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-04-13
公開日2014-07-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
6BOV
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BU of 6bov by Molmil
Human APE1 substrate complex with an A/G mismatch adjacent the THF
分子名称: 21-mer DNA, DI(HYDROXYETHYL)ETHER, DNA-(apurinic or apyrimidinic site) lyase
著者Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
登録日2017-11-20
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
6ULF
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BU of 6ulf by Molmil
Crystal structure of 4498 Fab in complex with circumsporozoite protein NDN3 and anti-Kappa VHH domain
分子名称: 4498 Fab heavy chain, 4498 Fab light chain, Circumsporozoite protein, ...
著者Thai, E, Scally, S.W, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-10-07
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
7TYF
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BU of 7tyf by Molmil
Human Amylin1 Receptor in complex with Gs and rat amylin peptide
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
登録日2022-02-13
公開日2022-03-23
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献A structural basis for amylin receptor phenotype.
Science, 375, 2022
6UM4
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BU of 6um4 by Molmil
Crystal structure of malate dehydrogenase from Naegleria fowleri ATCC 30863
分子名称: 1,2-ETHANEDIOL, Malate dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-10-09
公開日2019-10-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of malate dehydrogenase from Naegleria fowleri ATCC 30863
TO BE PUBLISHED
6BZR
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BU of 6bzr by Molmil
Human ABCC6 NBD2 in ADP-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, CITRIC ACID, Multidrug resistance-associated protein 6
著者Zheng, A, Thibodeau, P.H.
登録日2017-12-25
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.79999447 Å)
主引用文献Structures of human ABCC6 NBD1 and NBD2
To Be Published
6UO9
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BU of 6uo9 by Molmil
Human metabotropic GABA(B) receptor bound to agonist SKF97541 in its intermediate state 2
分子名称: (R)-(3-aminopropyl)methylphosphinic acid, 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Shaye, H, Han, G.W, Gati, C, Cherezov, V.
登録日2019-10-14
公開日2020-06-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
6UMR
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BU of 6umr by Molmil
Structure of DUF89 - D291A mutant
分子名称: Damage-control phosphatase DUF89, MAGNESIUM ION
著者Perry, J.J, Kenjic, N, Dennis, T.N.
登録日2019-10-10
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Human ARMT1 structure and substrate specificity indicates that it is a DUF89 family damage-control phosphatase.
J.Struct.Biol., 212, 2020
6BM4
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BU of 6bm4 by Molmil
Pol II elongation complex with an abasic lesion at i-1 position,soaking UMPNPP
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, W, Wang, D.
登録日2017-11-13
公開日2018-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BO7
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BU of 6bo7 by Molmil
Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
分子名称: Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
著者Guddat, L.W, Keough, D.T, Rejman, D.
登録日2017-11-18
公開日2017-12-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.856 Å)
主引用文献Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 13, 2018
6UML
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BU of 6uml by Molmil
Structural Basis for Thalidomide Teratogenicity Revealed by the Cereblon-DDB1-SALL4-Pomalidomide Complex
分子名称: DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
著者Clayton, T.L, Matyskiela, M.E, Pagarigan, B.E, Tran, E.T, Chamberlain, P.P.
登録日2019-10-09
公開日2020-04-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Crystal structure of the SALL4-pomalidomide-cereblon-DDB1 complex.
Nat.Struct.Mol.Biol., 27, 2020
6UOA
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BU of 6uoa by Molmil
Human metabotropic GABA(B) receptor in its intermediate state 1
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, Gamma-aminobutyric acid type B receptor subunit 1, ...
著者Shaye, H, Han, G.W, Gati, C, Cherezov, V.
登録日2019-10-14
公開日2020-06-10
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
5AK6
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BU of 5ak6 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-02
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4RUZ
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BU of 4ruz by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide
分子名称: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
6C3D
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BU of 6c3d by Molmil
O2-, PLP-dependent L-arginine hydroxylase RohP quinonoid II complex
分子名称: (2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Hedges, J.B, Ryan, K.S.
登録日2018-01-09
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
7JJB
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BU of 7jjb by Molmil
Crystal structure of Zn(II)-bound ZinT-like domain of Streptococcus pneumoniae AdcA
分子名称: MAGNESIUM ION, SODIUM ION, ZINC ION, ...
著者Luo, Z, More, J.R, Kobe, B, McDevitt, C.A.
登録日2020-07-24
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
7JJP
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BU of 7jjp by Molmil
Sheep Connexin-50 at 1.9 angstroms resolution by CryoEM
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-27
公開日2020-09-09
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (1.94 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7JMB
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BU of 7jmb by Molmil
Crystal structure of Nitrogenase iron-molybdenum cofactor biosynthesis enzyme NifB from Methanothermobacter thermautotrophicus with three Fe4S4 clusters
分子名称: IRON/SULFUR CLUSTER, Nitrogenase iron-molybdenum cofactor biosynthesis protein NifB
著者Kang, W, Rettberg, L, Ribbe, M.W, Hu, Y.
登録日2020-07-31
公開日2020-10-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-Ray Crystallographic Analysis of NifB with a Full Complement of Clusters: Structural Insights into the Radical SAM-Dependent Carbide Insertion During Nitrogenase Cofactor Assembly.
Angew.Chem.Int.Ed.Engl., 60, 2021

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件を2025-07-09に公開中

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