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2E80
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BU of 2e80 by Molmil
Cytochrome c Nitrite Reductase from Wolinella succinogenes with bound substrate nitrite
分子名称: ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
著者Einsle, O, Kroneck, P.M.H.
登録日2007-01-15
公開日2007-01-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mechanism of the six-electron reduction of nitrite to ammonia by cytochrome c nitrite reductase
J.Am.Chem.Soc., 124, 2002
2FT6
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BU of 2ft6 by Molmil
Structure of Cu(II)azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
分子名称: Azurin, COPPER (II) ION
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FT8
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BU of 2ft8 by Molmil
Structure of Cu(I)azurin, pH8, with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FT7
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BU of 2ft7 by Molmil
Structure of Cu(I)azurin at pH 6, with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FTA
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BU of 2fta by Molmil
Structure of Cu(II)azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPFM"
分子名称: Azurin, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6R26
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BU of 6r26 by Molmil
The photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state
分子名称: 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, CALCIUM ION
著者Scheerer, P, Michael, N, Lamparter, T, Krauss, N.
登録日2019-03-15
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state
To Be Published
6R27
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BU of 6r27 by Molmil
Crystallographic superstructure of the photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state
分子名称: 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein
著者Scheerer, P, Michael, N, Lamparter, T, Krauss, N.
登録日2019-03-15
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state
To Be Published
5XRX
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BU of 5xrx by Molmil
EFK17DA structure in Microgel MAA60
分子名称: Cathelicidin antimicrobial peptide
著者Datta, A, Bhunia, A.
登録日2017-06-10
公開日2018-04-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
8C3U
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BU of 8c3u by Molmil
Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist
分子名称: (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta
著者Rondeau, J.-M, Lehmann, S, Koch, E.
登録日2022-12-28
公開日2023-09-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta.
Nat Commun, 14, 2023
1GC2
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BU of 1gc2 by Molmil
CRYSTAL STRUCTURE OF THE PYRIDOXAL-5'-PHOSPHATE DEPENDENT L-METHIONINE GAMMA-LYASE FROM PSEUDOMONAS PUTIDA
分子名称: METHIONINE GAMMA-LYASE
著者Motoshima, H, Inagaki, K, Kumasaka, T, Furuichi, M, Inoue, H, Tamura, T, Esaki, N, Soda, K, Tanaka, N, Yamamoto, M, Tanaka, H.
登録日2000-07-06
公開日2002-05-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the pyridoxal 5'-phosphate dependent L-methionine gamma-lyase from Pseudomonas putida.
J.Biochem., 128, 2000
2L7U
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BU of 2l7u by Molmil
Structure of CEL-PEP-RAGE V domain complex
分子名称: Advanced glycosylation end product-specific receptor, Serum albumin peptide
著者Xue, J, Rai, V, Schmidt, A, Frolov, S, Reverdatto, S, Singer, D, Chabierski, S, Xie, J, Burz, D, Shekhtman, A, Hoffman, R.
登録日2010-12-23
公開日2011-05-18
最終更新日2023-11-29
実験手法SOLUTION NMR
主引用文献Advanced glycation end product recognition by the receptor for AGEs.
Structure, 19, 2011
2LMB
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BU of 2lmb by Molmil
Solution Structure of C-terminal RAGE (ctRAGE)
分子名称: Advanced glycosylation end product-specific receptor
著者Rai, V, Maldonado, A.Y, Burz, D.S, Reverdatto, S, Schmidt, A, Shekhtman, A.
登録日2011-11-29
公開日2011-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Signal transduction in receptor for advanced glycation end products (RAGE): solution structure of C-terminal rage (ctRAGE) and its binding to mDia1.
J.Biol.Chem., 287, 2012
1GC0
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BU of 1gc0 by Molmil
CRYSTAL STRUCTURE OF THE PYRIDOXAL-5'-PHOSPHATE DEPENDENT L-METHIONINE GAMMA-LYASE FROM PSEUDOMONAS PUTIDA
分子名称: METHIONINE GAMMA-LYASE
著者Motoshima, H, Inagaki, K, Kumasaka, T, Furuichi, M, Inoue, H, Tamura, T, Esaki, N, Soda, K, Tanaka, N, Yamamoto, M, Tanaka, H.
登録日2000-07-06
公開日2002-05-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the pyridoxal 5'-phosphate dependent L-methionine gamma-lyase from Pseudomonas putida.
J.Biochem., 128, 2000
8RYS
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BU of 8rys by Molmil
Human IL-1beta, unliganded
分子名称: Interleukin-1 beta, SULFATE ION
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-09
公開日2024-03-06
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
8RYK
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BU of 8ryk by Molmil
IL-1beta in complex with macrocyclic peptide hit
分子名称: Interleukin-1 beta, Macrocyclic peptide
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-09
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
8RZB
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BU of 8rzb by Molmil
IL-1beta in complex with covalent DEL hit
分子名称: 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-12
公開日2024-05-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
5TRX
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BU of 5trx by Molmil
Room temperature structure of an extradiol ring-cleaving dioxygenase from B.fuscum determined using serial femtosecond crystallography
分子名称: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
著者Kovaleva, E.G, Oberthuer, D, Tolstikova, A, Mariani, V.
登録日2016-10-27
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Double-flow focused liquid injector for efficient serial femtosecond crystallography
Sci. Rep., 7, 2017
6G9P
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BU of 6g9p by Molmil
Structural basis for the inhibition of E. coli PBP2
分子名称: Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
6H1E
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BU of 6h1e by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide
分子名称: HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ...
著者Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
登録日2018-07-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
5U5Q
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BU of 5u5q by Molmil
12 Subunit RNA Polymerase II at Room Temperature collected using SFX
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Bushnell, D.A, Oberthur, D, Mariani, V, Yefanov, O, Tolstikova, A, Barty, A.
登録日2016-12-07
公開日2017-03-29
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Sci Rep, 7, 2017
6H1D
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BU of 6h1d by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH
分子名称: HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
登録日2018-07-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
8OUA
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BU of 8oua by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11f
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Bischof, L, Hartmann, M.D.
登録日2023-04-22
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU4
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BU of 8ou4 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11a
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide, Cereblon isoform 4, ZINC ION
著者Heim, C, Bischof, L, Hartmann, M.D.
登録日2023-04-21
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU6
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BU of 8ou6 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11c
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Bischof, L, Hartmann, M.D.
登録日2023-04-21
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
8OU3
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BU of 8ou3 by Molmil
Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d
分子名称: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Bischof, L, Maiwald, S, Hartmann, M.D.
登録日2023-04-21
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023

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件を2024-11-06に公開中

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