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8P25
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BU of 8p25 by Molmil
Solution structure of a chimeric U2AF2 RRM2 / FUBP1 N-Box
分子名称: Splicing factor U2AF 65 kDa subunit,Far upstream element-binding protein 1
著者Hipp, C, Sattler, M.
登録日2023-05-14
公開日2023-07-26
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献FUBP1 is a general splicing factor facilitating 3' splice site recognition and splicing of long introns.
Mol.Cell, 83, 2023
6RZX
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BU of 6rzx by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA
分子名称: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, 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 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
8GCR
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BU of 8gcr by Molmil
HPV16 E6-E6AP-p53 complex
分子名称: Cellular tumor antigen p53, Maltose/maltodextrin-binding periplasmic protein,Protein E6, Ubiquitin-protein ligase E3A, ...
著者Bratkowski, M.A, Wang, J.C.K, Hao, Q, Nile, A.H.
登録日2023-03-02
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structure of the p53 degradation complex from HPV16.
Nat Commun, 15, 2024
4TMR
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BU of 4tmr by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
分子名称: CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C.
登録日2014-06-02
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
4TQN
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BU of 4tqn by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UL04
分子名称: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2014-06-11
公開日2015-06-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
J.Med.Chem., 59, 2016
6LXD
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BU of 6lxd by Molmil
Pri-miRNA bound DROSHA-DGCR8 complex
分子名称: Microprocessor complex subunit DGCR8, RNA (102-mer), Ribonuclease 3, ...
著者Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M.
登録日2020-02-10
公開日2020-04-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Basis for pri-miRNA Recognition by Drosha.
Mol.Cell, 78, 2020
4RKJ
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BU of 4rkj by Molmil
Crystal structure of thrombin mutant S195T (free form)
分子名称: GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
8HR6
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BU of 8hr6 by Molmil
leucine DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ from Bacillus thuringiensis
分子名称: Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Li, X, Song, W.
登録日2022-12-14
公開日2024-03-20
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
4F3F
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BU of 4f3f by Molmil
Crystal Structure of Msln7-64 MORAb-009 FAB complex
分子名称: MORAb-009 Fab heavy chain, MORAb-009 Fab light chain, Mesothelin
著者Xia, D, Pastan, I, Ma, J, Tang, W.K, Esser, L.
登録日2012-05-09
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Recognition of mesothelin by the therapeutic antibody MORAb-009: structural and mechanistic insights.
J.Biol.Chem., 287, 2012
5ORL
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BU of 5orl by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
著者McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
1VJI
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BU of 1vji by Molmil
Gene Product of At1g76680 from Arabidopsis thaliana
分子名称: 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE
著者Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-02-24
公開日2004-03-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1.
Proteins, 61, 2005
4RLF
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BU of 4rlf by Molmil
Crystal structure of a benzoate coenzyme A ligase with p-Toluic acid and o-Toluic acid
分子名称: 2-methylbenzoic acid, 4-METHYLBENZOIC ACID, Benzoate-coenzyme A ligase, ...
著者Strom, S, Nosrati, M, Thornburg, C, Walker, K, Geiger, J.H.
登録日2014-10-16
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
4RM3
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BU of 4rm3 by Molmil
Crystal structure of a benzoate coenzyme A ligase with 2-Furoic acid
分子名称: 2-FUROIC ACID, Benzoate-coenzyme A ligase
著者Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
登録日2014-10-18
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
4RMK
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BU of 4rmk by Molmil
Crystal structure of the Olfactomedin domain of latrophilin 3 in P65 crystal form
分子名称: CALCIUM ION, Latrophilin-3
著者Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, Von daake, S, Li, S, Demeler, B, Hendrickson, W.A, Comoletti, D.
登録日2014-10-21
公開日2015-08-19
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development.
Structure, 23, 2015
4RMR
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BU of 4rmr by Molmil
Crystal structure of the D38N Beta-2 Microglobulin mutant
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2014-10-22
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
2F21
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BU of 2f21 by Molmil
human Pin1 Fip mutant
分子名称: PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Jager, M, Zhang, Y, Bowman, M.E, Noel, J.P, Kelly, J.W.
登録日2005-11-15
公開日2006-06-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4HAW
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BU of 4haw by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548A)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4S1Q
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BU of 4s1q by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H03+06.D-001739, in complex with clade A/E HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H03+06.D-001739 heavy chain, ...
著者Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
登録日2015-01-14
公開日2015-04-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
102L
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BU of 102l by Molmil
HOW AMINO-ACID INSERTIONS ARE ALLOWED IN AN ALPHA-HELIX OF T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Heinz, D.W, Matthews, B.W.
登録日1992-09-29
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献How amino-acid insertions are allowed in an alpha-helix of T4 lysozyme.
Nature, 361, 1993
4RMQ
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BU of 4rmq by Molmil
Crystal structure of the D59N Beta-2 Microglobulin mutant
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2014-10-22
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
4HAT
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BU of 4hat by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4RM2
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BU of 4rm2 by Molmil
Crystal structure of a benzoate coenzyme A ligase with 2-Fluoro benzoic acid
分子名称: 2-fluorobenzoic acid, Benzoate-coenzyme A ligase
著者Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
登録日2014-10-18
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
3ZG3
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BU of 3zg3 by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD)
分子名称: N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I.
登録日2012-12-14
公開日2013-09-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
5E9Y
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BU of 5e9y by Molmil
Crystal Structure of BAZ2B bromodomain in complex with MPD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
6LXE
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BU of 6lxe by Molmil
DROSHA-DGCR8 complex
分子名称: Microprocessor complex subunit DGCR8, Ribonuclease 3, ZINC ION
著者Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M.
登録日2020-02-10
公開日2020-04-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural Basis for pri-miRNA Recognition by Drosha.
Mol.Cell, 78, 2020

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