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1RFA
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BU of 1rfa by Molmil
NMR SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF C-RAF-1
分子名称: RAF1
著者Emerson, S.D, Madison, V.S, Palermo, R.E, Waugh, D.S, Scheffler, J.E, Tsao, K.-L, Kiefer, S.E, Liu, S.P, Fry, D.C.
登録日1995-04-26
公開日1996-06-20
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of the Ras-binding domain of c-Raf-1 and identification of its Ras interaction surface.
Biochemistry, 34, 1995
6MVM
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BU of 6mvm by Molmil
LasR LBD L130F:3OC14HSL complex
分子名称: 3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide, Transcriptional regulator LasR
著者Paczkowski, J.E, Bassler, B.L.
登録日2018-10-26
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
2FGP
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BU of 2fgp by Molmil
Crystal structure of a minimal, all RNA hairpin ribozyme with modifications (g8dap, u39c) at ph 8.6
分子名称: 5'-R(*CP*GP*GP*UP*GP*AP*(N6G)P*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
著者Salter, J.D, Wedekind, J.E.
登録日2005-12-22
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
分子名称: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
分子名称: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER6
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BU of 4er6 by Molmil
Crystal structure of human DOT1L in complex with inhibitor SGC0946
分子名称: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4EQZ
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BU of 4eqz by Molmil
Crystal structure of human DOT1L in complex with inhibitor FED2
分子名称: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER0
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BU of 4er0 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor FED1
分子名称: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER7
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BU of 4er7 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor SGC0947
分子名称: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4F8D
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BU of 4f8d by Molmil
Crystal Structure of an R46A mutant of the Restriction-Modification Controller Protein C.Esp1396I (Monoclinic Form)
分子名称: Regulatory protein, SODIUM ION, SULFATE ION
著者Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
登録日2012-05-17
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
1EBH
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BU of 1ebh by Molmil
OCTAHEDRAL COORDINATION AT THE HIGH AFFINITY METAL SITE IN ENOLASE; CRYSTALLOGRAPHIC ANALYSIS OF THE MG++-ENZYME FROM YEAST AT 1.9 ANGSTROMS RESOLUTION
分子名称: CHLORIDE ION, ENOLASE, MAGNESIUM ION
著者Wedekind, J.E, Reed, G.H, Rayment, I.
登録日1994-11-01
公開日1995-04-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Octahedral coordination at the high-affinity metal site in enolase: crystallographic analysis of the MgII--enzyme complex from yeast at 1.9 A resolution.
Biochemistry, 34, 1995
1UZW
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BU of 1uzw by Molmil
ISOPENICILLIN N SYNTHASE WITH L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE
分子名称: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
著者Grummitt, A.R, Rutledge, P.J, Clifton, I.J, Baldwin, J.E.
登録日2004-03-17
公開日2004-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Active Site Mediated Elimination of Hydrogen Fluoride from a Fluorinated Substrate Analogue by Isopenicillin N Synthase
Biochem.J., 382, 2004
8OXY
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BU of 8oxy by Molmil
Transglutaminase 3 without calcium in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
8OXW
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BU of 8oxw by Molmil
Transglutaminase 3 in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
8OXV
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BU of 8oxv by Molmil
Transglutaminase 3 zymogen in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody Fab fragment Heavy chain, Antibody Fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
8OXX
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BU of 8oxx by Molmil
Transglutaminase 3 in complex with inhibitor Z-don and DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, 5-OXO-L-NORLEUCINE, Antibody fab fragment heavy chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
1VHR
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BU of 1vhr by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE VHR, SULFATE ION
著者Yuvaniyama, J, Denu, J.M, Dixon, J.E, Saper, M.A.
登録日1996-02-20
公開日1996-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the dual specificity protein phosphatase VHR.
Science, 272, 1996
8SZD
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BU of 8szd by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
分子名称: CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ...
著者Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-05-29
公開日2023-06-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
8SZE
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BU of 8sze by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase, ...
著者Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-05-29
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
To be published
8T0B
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BU of 8t0b by Molmil
Novel Domain of Unknown Function Solved with AlphaFold
分子名称: DUF1842 domain-containing protein
著者Miller, J.E, Cascio, D, Sawaya, M.R, Yeates, T.O.
登録日2023-05-31
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography.
Acta Crystallogr D Struct Biol, 80, 2024
1GMJ
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BU of 1gmj by Molmil
The structure of bovine IF1, the regulatory subunit of mitochondrial F-ATPase
分子名称: ATPASE INHIBITOR
著者Cabezon, E, Runswick, M.J, Leslie, A.G.W, Walker, J.E.
登録日2001-09-14
公開日2002-01-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of Bovine If(1), the Regulatory Subunit of Mitochondrial F-ATPase.
Embo J., 20, 2001
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8RIV
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BU of 8riv by Molmil
T2R-TTL-1-K08 complex
分子名称: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8SD7
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Carbonic anhydrase II radiation damage RT 61-90
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SF1
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BU of 8sf1 by Molmil
Carbonic anhydrase II XFEL radiation damage RT
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-10
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024

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