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8B1D
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BU of 8b1d by Molmil
DtpB-Nb132-APF
分子名称: ALA-PRO-PHE, DECANE, DODECANE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B1G
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BU of 8b1g by Molmil
DtpB-Nb132-AW
分子名称: ALA-TRP, DECANE, DODECANE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B1I
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BU of 8b1i by Molmil
DtpB-Nb132-MS
分子名称: DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B1F
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BU of 8b1f by Molmil
DtpB-Nb132-AV
分子名称: ALA-VAL, DECANE, DODECANE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B1C
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BU of 8b1c by Molmil
DtpB-Nb132-ALA
分子名称: ALA-LEU-ALA, DECANE, DODECANE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B17
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BU of 8b17 by Molmil
DtpB-Nb132-AWA
分子名称: ALA-TRP-ALA, DECANE, DODECANE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B1J
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BU of 8b1j by Molmil
DtpB-Nb132-SL
分子名称: DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B1H
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BU of 8b1h by Molmil
DtpB-Nb132-KV
分子名称: DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B18
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BU of 8b18 by Molmil
DtpB-Nb132-AF
分子名称: ALA-PHE, DECANE, DODECANE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
8B19
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BU of 8b19 by Molmil
DtpB-Nb132-AFA
分子名称: ALA-PHE-ALA, DECANE, DODECANE, ...
著者Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
登録日2022-09-09
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
6EQI
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BU of 6eqi by Molmil
Structure of PINK1 bound to ubiquitin
分子名称: GLYCEROL, Nb696, Serine/threonine-protein kinase PINK1, ...
著者Schubert, A.F, Gladkova, C, Pardon, E, Wagstaff, J.L, Freund, S.M.V, Steyaert, J, Maslen, S, Komander, D.
登録日2017-10-13
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of PINK1 in complex with its substrate ubiquitin.
Nature, 552, 2017
6RTW
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BU of 6rtw by Molmil
Crystal structure of the Patched-1 (PTCH1) ectodomain in complex with nanobody NB64 and cholesterol-hemisuccinate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Llama-derived nanobody NB64, ...
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-27
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RVC
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BU of 6rvc by Molmil
Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody NB75, Protein patched homolog 1, ...
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-31
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6SSP
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BU of 6ssp by Molmil
Structure of the pentameric ligand-gated ion channel ELIC in complex with a NAM nanobody
分子名称: CALCIUM ION, Cys-loop ligand-gated ion channel, NANOBODY 21, ...
著者Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J.
登録日2019-09-09
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Elife, 9, 2020
6SSI
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BU of 6ssi by Molmil
Structure of the pentameric ligand-gated ion channel ELIC in complex with a PAM nanobody
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
著者Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J.
登録日2019-09-07
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Elife, 9, 2020
6GCI
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BU of 6gci by Molmil
Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier
分子名称: Bongkrekic acid, CARDIOLIPIN, HEXAETHYLENE GLYCOL, ...
著者Ruprecht, J.J, King, M.S, Pardon, E, Aleksandrova, A.A, Zogg, T, Crichton, P.G, Steyaert, J, Kunji, E.R.S.
登録日2018-04-17
公開日2019-01-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The Molecular Mechanism of Transport by the Mitochondrial ADP/ATP Carrier.
Cell, 176, 2019
6RTX
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BU of 6rtx by Molmil
Crystal structure of the Patched-1 (PTCH1) ectodomain 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-27
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RVD
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BU of 6rvd by Molmil
Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-31
公開日2019-10-02
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RTY
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BU of 6rty by Molmil
Crystal structure of the Patched ectodomain in complex with nanobody NB64
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Llama-derived nanobody NB64, Protein patched homolog 1
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-27
公開日2019-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
5O8F
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BU of 5o8f by Molmil
Structure of a chimaeric beta3-alpha5 GABAA receptor in complex with nanobody Nb25 and pregnanolone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit alpha-5,Gamma-aminobutyric acid receptor subunit alpha-5, Nanobody Nb25, ...
著者Miller, P.S, Scott, S, Masiulis, S, De Colibus, L, Pardon, E, Steyaert, J, Aricescu, A.R.
登録日2017-06-13
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for GABAA receptor potentiation by neurosteroids.
Nat. Struct. Mol. Biol., 24, 2017
5OJM
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BU of 5ojm by Molmil
Structure of a chimaeric beta3-alpha5 GABAA receptor in complex with nanobody Nb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Human GABAA receptor chimera beta3-alpha5,Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit alpha-5, Nanobody Nb25, ...
著者Miller, P.S, Scott, S, Masiulis, S, De Colibus, L, Pardon, E, Steyaert, J, Aricescu, A.R.
登録日2017-07-21
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for GABAA receptor potentiation by neurosteroids.
Nat. Struct. Mol. Biol., 24, 2017
5I40
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BU of 5i40 by Molmil
BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
分子名称: 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ...
著者Murray, J.M.
登録日2016-02-11
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.0402 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I89
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BU of 5i89 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790
分子名称: (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ...
著者Setser, J.W, Poy, F, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5I83
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BU of 5i83 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986
分子名称: (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5V84
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BU of 5v84 by Molmil
CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)
分子名称: Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION
著者Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F.
登録日2017-03-21
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
ACS Med Chem Lett, 8, 2017

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