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4J69
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BU of 4j69 by Molmil
Crystal structure of Ribonuclease A soaked in 50% S,R,S-bisfuranol: One of twelve in MSCS set
分子名称: (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J6A
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BU of 4j6a by Molmil
Crystal structure of Ribonuclease A soaked in 40% 2,2,2-Trifluoroethanol: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, TRIFLUOROETHANOL
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J63
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BU of 4j63 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclohexanone: One of twelve in MSCS set
分子名称: CYCLOHEXANONE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J61
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BU of 4j61 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclopentanone: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, cyclopentanone
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J66
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BU of 4j66 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Dimethyl sulfoxide: One of twelve in MSCS set
分子名称: DIMETHYL SULFOXIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J68
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BU of 4j68 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Isopropanol: One of twelve in MSCS set
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J5Z
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BU of 4j5z by Molmil
Crystal structure of Ribonuclease A in aqueous solution: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J65
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BU of 4j65 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Dimethylformamide: One of twelve in MSCS set
分子名称: DIMETHYLFORMAMIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.958 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J67
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BU of 4j67 by Molmil
Crystal structure of Ribonuclease A soaked in 50% 1,6-Hexanediol: One of twelve in MSCS set
分子名称: HEXANE-1,6-DIOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J60
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BU of 4j60 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Cyclopentanol: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, cyclopentanol
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J64
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BU of 4j64 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set
分子名称: 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
1D8F
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BU of 1d8f by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR.
分子名称: CALCIUM ION, N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ...
著者Cheng, M.Y, De, B, Pikul, S, Almstead, N.G, Natchus, M.G, Anastasio, M.V, McPhail, S.J, Snider, C.E, Taiwo, Y.O, Chen, L.Y.
登録日1999-10-22
公開日2000-10-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of piperazine-based matrix metalloproteinase inhibitors.
J.Med.Chem., 43, 2000
5BV9
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BU of 5bv9 by Molmil
The Structure of Bacillus pumilus GH48 in complex with cellobiose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2015-06-04
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Strategies to reduce end-product inhibition in family 48 glycoside hydrolases.
Proteins, 84, 2016
6L30
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BU of 6l30 by Molmil
Crystal structure of the epithelial cell transforming 2 (ECT2)
分子名称: Protein ECT2
著者Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P.
登録日2019-10-07
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and regulation of human epithelial cell transforming 2 protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
5VHE
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BU of 5vhe by Molmil
DHX36 in complex with the c-Myc G-quadruplex
分子名称: DEAH (Asp-Glu-Ala-His) box polypeptide 36, DNA (5'-D(*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*TP*TP*T)-3'), POTASSIUM ION
著者Chen, M, Ferre-D'Amare, A.
登録日2017-04-13
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.793 Å)
主引用文献Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
5VHD
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BU of 5vhd by Molmil
DHX36 with an N-terminal truncation bound to ADP-AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, DEAH (Asp-Glu-Ala-His) box polypeptide 36, TETRAFLUOROALUMINATE ION
著者Chen, M, Ferre-D'Amare, A.
登録日2017-04-13
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
5VHC
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BU of 5vhc by Molmil
DHX36 with an N-terminal truncation bound to ADP-BeF3
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DEAH (Asp-Glu-Ala-His) box polypeptide 36, ...
著者Chen, M, Ferre-D'Amare, A.
登録日2017-04-12
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
5VHA
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BU of 5vha by Molmil
DHX36 with an N-terminal truncation
分子名称: DEAH (Asp-Glu-Ala-His) box polypeptide 36
著者Chen, M, Ferre-D'Amare, A.
登録日2017-04-12
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
7CMC
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BU of 7cmc by Molmil
CRYSTAL STRUCTURE OF DEOXYHYPUSINE SYNTHASE FROM PYROCOCCUS HORIKOSHII
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable deoxyhypusine synthase
著者Yu, J, Gai, Z.Q, Okada, C, Yao, M.
登録日2020-07-27
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Flexible NAD+Binding in Deoxyhypusine Synthase Reflects the Dynamic Hypusine Modification of Translation Factor IF5A.
Int J Mol Sci, 21, 2020
1D7X
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BU of 1d7x by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR.
分子名称: CALCIUM ION, N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ...
著者Cheng, M.Y, Natchus, M.G, De, B, Almstead, N.G, Pikul, S.
登録日1999-10-20
公開日2000-10-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis, and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold.
J.Med.Chem., 42, 1999
5C6N
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BU of 5c6n by Molmil
protein A
分子名称: BH2163 protein
著者Lu, M.
登録日2015-06-23
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the blockade of MATE multidrug efflux pumps.
Nat Commun, 6, 2015
5C6P
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BU of 5c6p by Molmil
protein C
分子名称: (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, protein C, protein D
著者Lu, M.
登録日2015-06-23
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the blockade of MATE multidrug efflux pumps.
Nat Commun, 6, 2015
5C6O
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BU of 5c6o by Molmil
protein B
分子名称: (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, BH2163 protein
著者Lu, M.
登録日2015-06-23
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the blockade of MATE multidrug efflux pumps.
Nat Commun, 6, 2015
7YTJ
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BU of 7ytj by Molmil
Cryo-EM structure of VTC complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ...
著者Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z.
登録日2022-08-15
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex.
Nat Commun, 14, 2023
4ZPG
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BU of 4zpg by Molmil
BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015

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