8B42
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8B1K
| DtpB-Nb132-NV | Descriptor: | ASN-VAL, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1B
| DtpB-Nb132-AL | Descriptor: | ALA-LEU, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1A
| DtpB-Nb132-AI | Descriptor: | ALA-ILE, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1E
| DtpB-Nb132-AQ | Descriptor: | ALA-GLN, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1D
| DtpB-Nb132-APF | Descriptor: | ALA-PRO-PHE, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1I
| DtpB-Nb132-MS | Descriptor: | DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1F
| DtpB-Nb132-AV | Descriptor: | ALA-VAL, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1C
| DtpB-Nb132-ALA | Descriptor: | ALA-LEU-ALA, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1J
| DtpB-Nb132-SL | Descriptor: | DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1H
| DtpB-Nb132-KV | Descriptor: | DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B18
| DtpB-Nb132-AF | Descriptor: | ALA-PHE, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B19
| DtpB-Nb132-AFA | Descriptor: | ALA-PHE-ALA, DECANE, DODECANE, ... | Authors: | 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. | Deposit date: | 2022-09-09 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8ATG
| Pentameric ligand-gated ion channel GLIC with bound lipids | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Proton-gated ion channel | Authors: | Bergh, C, Rovsnik, U, Howard, R.J, Lindahl, E. | Deposit date: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Discovery of lipid binding sites in a ligand-gated ion channel by integrating simulations and cryo-EM. Elife, 12, 2024
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8AVY
| The ABCB1 L335C mutant (mABCB1) in the Apo state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-08-27 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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8AK5
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8AKB
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8AQO
| Streptavidin with a bisbiothinilated Fe4S4 cluster | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide, Streptavidin | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2022-08-13 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hydrophobic probe bound to Streptavidin - 1 To Be Published
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8AKF
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2F9B
| Discovery of Novel Heterocyclic Factor VIIa Inhibitors | Descriptor: | Coagulation factor VII, Tissue factor, {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID | Authors: | Rai, R, Kolesnikov, A, Sprengeler, P.A, Torkelson, S, Ton, T, Katz, B.A, Yu, C, Hendrix, J, Shrader, W.D, Stephens, R, Cabuslay, R, Sanford, E, Young, W.B. | Deposit date: | 2005-12-05 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery of novel heterocyclic factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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8RPQ
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2FC0
| WRN exonuclease, Mn dGMP complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Werner syndrome helicase | Authors: | Perry, J.J, Tainer, J.A. | Deposit date: | 2005-12-10 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing. Nat.Struct.Mol.Biol., 13, 2006
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2FCV
| SyrB2 with Fe(II), bromide, and alpha-ketoglutarate | Descriptor: | ((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-2-YL)METHYL NONANOATE, 2-OXOGLUTARIC ACID, BROMIDE ION, ... | Authors: | Blasiak, L.C, Drennan, C.L. | Deposit date: | 2005-12-12 | Release date: | 2006-03-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the non-haem iron halogenase SyrB2 in syringomycin biosynthesis. Nature, 440, 2006
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8RCO
| Structure of Human Serum Albumin in complex with Aristolochic Acid II at 1.9 A resolution | Descriptor: | 1,2-ETHANEDIOL, 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, MYRISTIC ACID, ... | Authors: | Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G. | Deposit date: | 2023-12-06 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin. J.Biol.Chem., 300, 2024
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8RCP
| Structure of Human Serum Albumin in complex with Myristic Acid | Descriptor: | 1,2-ETHANEDIOL, MYRISTIC ACID, Serum albumin | Authors: | Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G. | Deposit date: | 2023-12-06 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin. J.Biol.Chem., 300, 2024
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