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6ZHI
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BU of 6zhi by Molmil
Structure of the Plasmodium falciparum Hsp70-x substrate binding domain in complex with hydrophobic peptide
分子名称: ASN-ARG-LEU-LEU-LEU-THR-GLY, Heat shock protein 70
著者Schmidt, J, Vakonakis, I.
登録日2020-06-23
公開日2020-09-09
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of the substrate-binding domain of Plasmodium falciparum heat-shock protein 70-x.
Acta Crystallogr.,Sect.F, 76, 2020
2M7J
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BU of 2m7j by Molmil
Solution Structure of a Beta-Hairpin Peptidomimetic antibiotic that target LptD in Pseudomonas sp.
分子名称: beta-Hairpin Peptidomimetic Antibiotic TWLKKRRWKKAK(DPR)P
著者Moehle, K, Schmidt, J, Robinson, J.
登録日2013-04-25
公開日2013-09-11
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Structural studies of beta-hairpin peptidomimetic antibiotics that target LptD in Pseudomonas sp.
Bioorg.Med.Chem., 21, 2013
2M7I
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BU of 2m7i by Molmil
Solution structure of a Beta-Hairpin Peptidomimetic antibiotic that targets LptD in Pseudomonas sp.
分子名称: Beta-Hairpin Peptidomimetic antibiotic TWL(DAB)(ORN)(DLY)RW(ORN)(DAB)AK(DPR)P
著者Moehle, K, Schmidt, J, Robinson, J.
登録日2013-04-24
公開日2013-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural studies of beta-hairpin peptidomimetic antibiotics that target LptD in Pseudomonas sp.
Bioorg.Med.Chem., 21, 2013
8OUR
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BU of 8our by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16
分子名称: 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B.
登録日2023-04-24
公開日2023-07-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
8OUS
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BU of 8ous by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19
分子名称: (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12
著者Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B.
登録日2023-04-24
公開日2023-07-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
8OUT
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BU of 8out by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22
分子名称: (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12
著者Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B.
登録日2023-04-24
公開日2023-07-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.935 Å)
主引用文献Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
4PIJ
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BU of 4pij by Molmil
X-ray crystal structure of the K11S/K63S double mutant of ubiquitin
分子名称: GLYCEROL, SULFATE ION, Ubiquitin
著者Loll, P.J, Xu, P.J, Schmidt, J, Melideo, S.L.
登録日2014-05-08
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enhancing ubiquitin crystallization through surface-entropy reduction.
Acta Crystallogr.,Sect.F, 70, 2014
4PIH
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BU of 4pih by Molmil
X-ray crystal structure of the K33S mutant of ubiquitin
分子名称: CALCIUM ION, CHLORIDE ION, Ubiquitin
著者Loll, P.J, Xu, P.J, Schmidt, J, Melideo, S.L.
登録日2014-05-08
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enhancing ubiquitin crystallization through surface-entropy reduction.
Acta Crystallogr.,Sect.F, 70, 2014
4PIG
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BU of 4pig by Molmil
Crystal structure of the ubiquitin K11S mutant
分子名称: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Loll, P.J, Xu, P.J, Schmidt, J, Melideo, S.L.
登録日2014-05-08
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Enhancing ubiquitin crystallization through surface-entropy reduction.
Acta Crystallogr.,Sect.F, 70, 2014
9FKD
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BU of 9fkd by Molmil
Progesterone-bound DB3 Fab in complex with computationally designed DBPro1156_2 protein binder
分子名称: Anti-kappa Fab Heavy Chain, Anti-kappa Fab Light Chain, DB3 Fab Heavy chain, ...
著者Pacesa, M, Marchand, A, Correia, B.E.
登録日2024-06-03
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Targeting protein-ligand neosurfaces using a generalizable deep learning approach
To Be Published
3CBG
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BU of 3cbg by Molmil
Functional and Structural Characterization of a Cationdependent O-Methyltransferase from the Cyanobacterium Synechocystis Sp. Strain PCC 6803
分子名称: (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, ...
著者Kopycki, J.G, Neumann, P, Stubbs, M.T.
登録日2008-02-22
公開日2008-06-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and Structural Characterization of a Cation-dependent O-Methyltransferase from the Cyanobacterium Synechocystis sp. Strain PCC 6803
J.Biol.Chem., 283, 2008
7ZAK
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BU of 7zak by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
著者Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
登録日2022-03-22
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
7ZFR
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BU of 7zfr by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ...
著者Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
登録日2022-04-01
公開日2023-04-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
8S1X
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BU of 8s1x by Molmil
Crystal structure of Actinonin-bound PDF1 and the computationally designed DBAct553_1 protein binder
分子名称: ACTINONIN, DBAct553_1, FORMIC ACID, ...
著者Marchand, A, Pacesa, M, Correia, B.E.
登録日2024-02-16
公開日2024-10-30
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Targeting hybrid neosurface fingerprints for the design of de novo drug-induced protein interactions
To Be Published
1PWP
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BU of 1pwp by Molmil
Crystal Structure of the Anthrax Lethal Factor complexed with Small Molecule Inhibitor NSC 12155
分子名称: Lethal factor, N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, ZINC ION
著者Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
登録日2003-07-02
公開日2004-01-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of small molecule inhibitors of anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
2O36
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BU of 2o36 by Molmil
Crystal structure of engineered thimet oligopeptidase with neurolysin specificity in neurotensin cleavage site
分子名称: Thimet oligopeptidase, ZINC ION
著者Rodgers, D.W, Lim, E.J.
登録日2006-11-30
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Swapping the substrate specificities of the neuropeptidases neurolysin and thimet oligopeptidase.
J.Biol.Chem., 282, 2007
2O3E
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BU of 2o3e by Molmil
Crystal structure of engineered neurolysin with thimet oligopeptidase specificity for neurotensin cleavage site.
分子名称: Neurolysin, ZINC ION
著者Rodgers, D.W, Lim, E.J.
登録日2006-12-01
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Swapping the substrate specificities of the neuropeptidases neurolysin and thimet oligopeptidase.
J.Biol.Chem., 282, 2007
6HPZ
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BU of 6hpz by Molmil
Crystal structure of ENL (MLLT1) in complex with acetyllysine
分子名称: 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, Protein ENL
著者Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
6HPW
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BU of 6hpw by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 20
分子名称: 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
著者Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
6HQ0
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BU of 6hq0 by Molmil
Crystal structure of ENL (MLLT1), apo form
分子名称: 1,2-ETHANEDIOL, Protein ENL
著者Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
6HPY
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BU of 6hpy by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 12
分子名称: 1,2-ETHANEDIOL, 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid, Protein ENL, ...
著者Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
6HPX
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BU of 6hpx by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 19
分子名称: 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
著者Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
8T1I
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BU of 8t1i by Molmil
Atomic model of the mammalian Mediator complex with MED26 subunit
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-02
公開日2024-06-12
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.68 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
6W1S
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BU of 6w1s by Molmil
Atomic model of the mammalian Mediator complex
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Young, N, Asturias, F.
登録日2020-03-04
公開日2021-03-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献A Pliable Mediator Acts as a Functional Rather Than an Architectural Bridge between Promoters and Enhancers.
Cell, 178, 2019
8T9D
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BU of 8t9d by Molmil
CryoEM structure of TR-TRAP
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-23
公開日2024-07-03
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024

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