7SDH
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![BU of 7sdh by Molmil](/molmil-images/mine/7sdh) | [S:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(IMC)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-09-29 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (4.05 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 2023
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7SDW
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![BU of 7sdw by Molmil](/molmil-images/mine/7sdw) | [T:Hg2+:mC] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5CM)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-09-29 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 2023
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3NUY
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![BU of 3nuy by Molmil](/molmil-images/mine/3nuy) | |
6SQ0
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![BU of 6sq0 by Molmil](/molmil-images/mine/6sq0) | |
3NUU
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![BU of 3nuu by Molmil](/molmil-images/mine/3nuu) | |
6SUO
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![BU of 6suo by Molmil](/molmil-images/mine/6suo) | ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6) | Descriptor: | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2019-09-16 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry. Acs Med.Chem.Lett., 10, 2019
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7EHZ
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![BU of 7ehz by Molmil](/molmil-images/mine/7ehz) | Structure of human NNMT in complex with macrocyclic peptide 2 | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 2 | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. Acs Med.Chem.Lett., 12, 2021
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7EGU
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![BU of 7egu by Molmil](/molmil-images/mine/7egu) | Structure of human NNMT in complex with macrocyclic peptide X | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide X | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | Deposit date: | 2021-03-26 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. Acs Med.Chem.Lett., 12, 2021
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7EI2
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![BU of 7ei2 by Molmil](/molmil-images/mine/7ei2) | Structure of human NNMT in complex with macrocyclic peptide 8 | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 8 | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | Deposit date: | 2021-03-30 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. Acs Med.Chem.Lett., 12, 2021
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1DZE
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![BU of 1dze by Molmil](/molmil-images/mine/1dze) | Structure of the M Intermediate of Bacteriorhodopsin trapped at 100K | Descriptor: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL, ... | Authors: | Takeda, K, Matsui, Y, Sato, H, Hino, T, Kanamori, E, Okumura, H, Yamane, T, Iizuka, T, Kamiya, N, Adachi, S, Kouyama, T. | Deposit date: | 2000-02-25 | Release date: | 2000-08-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the M Intermediate of Bacteriorhodopsin: Allosteric Structural Changes Mediated by Sliding Movement of a Transmembrane Helix J.Mol.Biol., 341, 2004
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1ESB
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![BU of 1esb by Molmil](/molmil-images/mine/1esb) | DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE | Descriptor: | CALCIUM ION, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PORCINE PANCREATIC ELASTASE, ... | Authors: | Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D. | Deposit date: | 1994-02-04 | Release date: | 1994-04-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase. Biochemistry, 33, 1994
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8C12
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![BU of 8c12 by Molmil](/molmil-images/mine/8c12) | Identification of an intermediate activation state of PAK5 reveals a novel mechanism of kinase inhibition. | Descriptor: | PAK5-Af17, Serine/threonine-protein kinase PAK 5 | Authors: | Martin, H.L, Turner, A.L, Trinh, C.H, Bayliss, R.W, Tomlinson, D.C. | Deposit date: | 2022-12-19 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | Affimer-mediated locking of p21-activated kinase 5 in an intermediate activation state results in kinase inhibition. Cell Rep, 42, 2023
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5HYQ
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![BU of 5hyq by Molmil](/molmil-images/mine/5hyq) | Cetuximab Fab in complex with amidated meditope | Descriptor: | Amidated meditope, Cetuximab heavy chain, Cetuximab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-01 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.477 Å) | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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5ICX
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![BU of 5icx by Molmil](/molmil-images/mine/5icx) | Cetuximab Fab in complex with CQFDLSTRRLRCGGSK meditope | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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5ID1
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![BU of 5id1 by Molmil](/molmil-images/mine/5id1) | Cetuximab Fab in complex with MPT-Cys meditope | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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8G92
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![BU of 8g92 by Molmil](/molmil-images/mine/8g92) | Structure of inhibitor 16d-bound SPNS2 | Descriptor: | 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, Sphingosine-1-phosphate transporter SPNS2 | Authors: | Chen, H, Li, X. | Deposit date: | 2023-02-21 | Release date: | 2023-05-24 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate. Cell, 186, 2023
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2A3U
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![BU of 2a3u by Molmil](/molmil-images/mine/2a3u) | Crystal structure of sulbactam bound to E166A variant of SHV-1 beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | Authors: | Padayatti, P.S, Helfand, M.S, Totir, M.A, Carey, M.P, Carey, P.R, Bonomo, R.A, van den Akker, F. | Deposit date: | 2005-06-27 | Release date: | 2005-08-02 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | High Resolution Crystal Structures of the trans-Enamine Intermediates Formed by Sulbactam and Clavulanic Acid and E166A SHV-1 {beta}-Lactamase. J.Biol.Chem., 280, 2005
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4W7G
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![BU of 4w7g by Molmil](/molmil-images/mine/4w7g) | |
5I2I
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![BU of 5i2i by Molmil](/molmil-images/mine/5i2i) | Structure of cetuximab Fab with cyclic F3Q variant of the meditope | Descriptor: | Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-08 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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6E36
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![BU of 6e36 by Molmil](/molmil-images/mine/6e36) | |
6E3F
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![BU of 6e3f by Molmil](/molmil-images/mine/6e3f) | |
3NUS
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![BU of 3nus by Molmil](/molmil-images/mine/3nus) | |
5IR1
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![BU of 5ir1 by Molmil](/molmil-images/mine/5ir1) | Cetuximab Fab in complex with 3-bromophenylalanine meditope variant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-03-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.482 Å) | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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6B9H
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1EGD
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![BU of 1egd by Molmil](/molmil-images/mine/1egd) | STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MEDIUM CHAIN ACYL-COA DEHYDROGENASE | Authors: | Lee, H.J, Wang, M, Paschke, R, Nandy, A, Ghisla, S, Kim, J.P. | Deposit date: | 1996-04-11 | Release date: | 1997-06-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the wild type and the Glu376Gly/Thr255Glu mutant of human medium-chain acyl-CoA dehydrogenase: influence of the location of the catalytic base on substrate specificity. Biochemistry, 35, 1996
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