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7LPB
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BU of 7lpb by Molmil
Cryo-EM structure of full-length TRPV1 with capsaicin at 25 degrees Celsius
分子名称: (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7LPD
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BU of 7lpd by Molmil
Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees Celsius, in an intermediate state, class 2
分子名称: (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
4E15
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BU of 4e15 by Molmil
Crystal structure of kynurenine formamidase conjugated with an inhibitor
分子名称: 1,2-ETHANEDIOL, kynurenine formamidase
著者Han, Q, Robinson, H, Li, J.
登録日2012-03-05
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biochemical identification and crystal structure of kynurenine formamidase from Drosophila melanogaster.
Biochem.J., 446, 2012
7LP9
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BU of 7lp9 by Molmil
Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7LPC
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BU of 7lpc by Molmil
Cryo-EM structure of full-length TRPV1 at 48 degrees Celsius
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7KKF
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BU of 7kkf by Molmil
Crystal Structure of S. cerevisiae Ess1
分子名称: Peptidyl-prolyl cis-trans isomerase ESS1
著者Namitz, K.E.W, Alicea-Velazquez, N.L, Cosgrove, M.S, Hanes, S.D.
登録日2020-10-27
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure analysis suggests Ess1 isomerizes the carboxy-terminal domain of RNA polymerase II via a bivalent anchoring mechanism.
Commun Biol, 4, 2021
4NIA
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BU of 4nia by Molmil
Satellite Tobacco Mosaic Virus Refined at room temperature to 1.8 A Resolution using NCS Restraints
分子名称: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
著者Larson, S.B, Day, J.S, McPherson, A.
登録日2013-11-05
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Satellite tobacco mosaic virus refined to 1.4 angstrom resolution.
Acta Crystallogr.,Sect.D, 70, 2014
4QRT
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BU of 4qrt by Molmil
Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Gras, S, Twist, K.-A, Rossjohn, J.
登録日2014-07-02
公開日2014-07-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
6S2W
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BU of 6s2w by Molmil
Structure of S. pombe Erh1, a protein important for meiotic mRNA decay in mitosis and meiosis progression.
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
著者Hazra, D, Graille, M.
登録日2019-06-22
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Formation of S. pombe Erh1 homodimer mediates gametogenic gene silencing and meiosis progression.
Sci Rep, 10, 2020
2FYC
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BU of 2fyc by Molmil
Crystal structure of the catalytic domain of bovine beta1,4-galactosyltransferase-I in complex with alpha-lactalbumin, Ca and UDP-galactose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-lactalbumin, CALCIUM ION, ...
著者Ramakrishnan, B, Ramasamy, V, Qasba, P.K.
登録日2006-02-07
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Snapshots of beta-1,4-Galactosyltransferase-I Along the Kinetic Pathway.
J.Mol.Biol., 357, 2006
5BU4
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BU of 5bu4 by Molmil
RIBONUCLEASE T1 COMPLEX WITH 2'GMP
分子名称: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
著者Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
登録日1998-09-15
公開日1998-09-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
5AM5
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BU of 5am5 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-cyclohexyl-3-propyl-1H-pyridin-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-09
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4TXD
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BU of 4txd by Molmil
Crystal structure of Thermofilum pendens Csc2
分子名称: Csc2, ZINC ION
著者Hrle, A, Conti, E.
登録日2014-07-03
公開日2014-08-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.818 Å)
主引用文献Structural analyses of the CRISPR protein Csc2 reveal the RNA-binding interface of the type I-D Cas7 family.
Rna Biol., 11, 2014
5AM3
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BU of 5am3 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-09
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
1ZKY
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BU of 1zky by Molmil
Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide
分子名称: 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Hahm, J.B, Nettles, K.W, Greene, G.L.
登録日2005-05-04
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
4TUR
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BU of 4tur by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2)
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-06-24
公開日2014-10-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.169 Å)
主引用文献Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
6RZH
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BU of 6rzh by Molmil
Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.947 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6S03
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BU of 6s03 by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
分子名称: 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2019-06-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
5E0M
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BU of 5e0m by Molmil
LC8 - Chica (468-476) Complex
分子名称: Dynein light chain 1, cytoplasmic, Protein Chica peptide, ...
著者Clark, S.A, Barbar, E.B, Karplus, P.A.
登録日2015-09-29
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
5E33
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BU of 5e33 by Molmil
Structure of human DPP3 in complex with met-enkephalin
分子名称: Dipeptidyl peptidase 3, MAGNESIUM ION, Met-enkephalin, ...
著者Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
登録日2015-10-01
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.837 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
1BW4
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BU of 1bw4 by Molmil
THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF BARWIN, A PROTEIN FROM BARLEY SEED
分子名称: BARWIN, BASIC BARLEY SEED PROTEIN
著者Poulsen, F.M.
登録日1992-07-06
公開日1993-10-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Three-dimensional structure in solution of barwin, a protein from barley seed.
Biochemistry, 31, 1992
4TUS
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BU of 4tus by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2) WITH MANGANESE IN THE ACTIVE SITE.
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-06-24
公開日2014-10-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
3GN2
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BU of 3gn2 by Molmil
Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00066730)
分子名称: 1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Brenk, R, Hunter, W.N.
登録日2009-03-16
公開日2009-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
4TUQ
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BU of 4tuq by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite GG template (GG0b).
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*AP*TP*GP*GP*GP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-06-24
公開日2014-10-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.367 Å)
主引用文献Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
1JL5
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BU of 1jl5 by Molmil
Novel Molecular Architecture of YopM-a Leucine-rich Effector Protein from Yersinia pestis
分子名称: CALCIUM ION, outer protein YopM
著者Evdokimov, A.G, Anderson, D.E, Routzahn, K.M, Waugh, D.S.
登録日2001-07-15
公開日2001-10-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit.
J.Mol.Biol., 312, 2001

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