7KOO
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![BU of 7koo by Molmil](/molmil-images/mine/7koo) | Alpha-7 nicotinic acetylcholine receptor bound to alpha-bungarotoxin in a resting state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-bungarotoxin isoform V31, ... | Authors: | Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Cabuco, R, Baxter, L, Borek, D, Sine, S. | Deposit date: | 2020-11-09 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor. Cell, 184, 2021
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4MR5
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![BU of 4mr5 by Molmil](/molmil-images/mine/4mr5) | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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3D1K
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![BU of 3d1k by Molmil](/molmil-images/mine/3d1k) | R/T intermediate quaternary structure of an antarctic fish hemoglobin in an alpha(CO)-beta(pentacoordinate) state | Descriptor: | ACETYL GROUP, CARBON MONOXIDE, Hemoglobin subunit alpha-1, ... | Authors: | Vitagliano, L, Vergara, A, Bonomi, G, Merlino, A, Mazzarella, L. | Deposit date: | 2008-05-06 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Spectroscopic and crystallographic characterization of a tetrameric hemoglobin oxidation reveals structural features of the functional intermediate relaxed/tense state. J.Am.Chem.Soc., 130, 2008
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7QIT
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![BU of 7qit by Molmil](/molmil-images/mine/7qit) | CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | Deposit date: | 2021-12-15 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. Rsc Chem Biol, 3, 2022
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4MRD
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![BU of 4mrd by Molmil](/molmil-images/mine/4mrd) | Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule | Descriptor: | CD44 antigen, SULFATE ION, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Liu, L.K, Finzel, B. | Deposit date: | 2013-09-17 | Release date: | 2014-04-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem., 57, 2014
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1P31
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![BU of 1p31 by Molmil](/molmil-images/mine/1p31) | Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae | Descriptor: | MAGNESIUM ION, UDP-N-acetylmuramate--alanine ligase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | Authors: | Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V. | Deposit date: | 2003-04-16 | Release date: | 2003-07-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae. J.Bacteriol., 185, 2003
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2V7C
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![BU of 2v7c by Molmil](/molmil-images/mine/2v7c) | Crystal Structure of Rev-Erb beta | Descriptor: | ORPHAN NUCLEAR RECEPTOR NR1D2 | Authors: | Woo, E.-J, Jeong, D.G, Lim, M.-Y, Kim, S.J, Ryu, S.E. | Deposit date: | 2007-07-29 | Release date: | 2007-10-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insight Into the Constitutive Repression Function of the Nuclear Receptor Rev-Erbbeta J.Mol.Biol., 373, 2007
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8UHF
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![BU of 8uhf by Molmil](/molmil-images/mine/8uhf) | |
5FUN
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![BU of 5fun by Molmil](/molmil-images/mine/5fun) | Crystal structure of human JARID1B in complex with GSK467 | Descriptor: | 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | Deposit date: | 2016-01-28 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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2EJ6
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![BU of 2ej6 by Molmil](/molmil-images/mine/2ej6) | Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound D-proline | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, ... | Authors: | Inagaki, E, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-15 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structure analysis of delta1-pyrroline-5-carboxylate dehydrogenase in ternary complex with inhibitor and NAD To be Published
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7KU7
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![BU of 7ku7 by Molmil](/molmil-images/mine/7ku7) | Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048. Cluster identified by 3-dimensional variability analysis in cryoSPARC. | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ... | Authors: | Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. | Deposit date: | 2020-11-24 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome. Commun Biol, 4, 2021
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3ALL
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![BU of 3all by Molmil](/molmil-images/mine/3all) | Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, mutant Y270A | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kobayashi, J, Yoshida, H, Yoshikane, Y, Kamitori, S, Yagi, T. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase To be published
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5FVK
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![BU of 5fvk by Molmil](/molmil-images/mine/5fvk) | Crystal structure of Vps4-Vfa1 complex from S.cerevisiae at 1.66 A resolution. | Descriptor: | VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 4, VPS4-ASSOCIATED PROTEIN 1 | Authors: | Kojima, R, Obita, T, Onoue, K, Mizuguchi, M. | Deposit date: | 2016-02-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Structural Fine-Tuning of Mit Interacting Motif 2 (Mim2) and Allosteric Regulation of Escrt-III by Vps4 in Yeast. J.Mol.Biol., 428, 2016
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7KOQ
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![BU of 7koq by Molmil](/molmil-images/mine/7koq) | Alpha-7 nicotinic acetylcholine receptor bound to epibatidine in a desensitized state | Descriptor: | 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, ... | Authors: | Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Cabuco, R, Baxter, L, Borek, D, Sine, S. | Deposit date: | 2020-11-09 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor. Cell, 184, 2021
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5FJH
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![BU of 5fjh by Molmil](/molmil-images/mine/5fjh) | |
1P6K
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![BU of 1p6k by Molmil](/molmil-images/mine/1p6k) | Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-04-29 | Release date: | 2004-01-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
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4MUK
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![BU of 4muk by Molmil](/molmil-images/mine/4muk) | |
3D4L
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![BU of 3d4l by Molmil](/molmil-images/mine/3d4l) | Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2008-05-14 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design. Bioorg.Med.Chem.Lett., 18, 2008
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4MUY
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![BU of 4muy by Molmil](/molmil-images/mine/4muy) | IspH in complex with pyridin-4-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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7KS0
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![BU of 7ks0 by Molmil](/molmil-images/mine/7ks0) | GluK2/K5 with 6-Cyano-7-nitroquinoxaline-2,3-dione (CNQX) | Descriptor: | Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera | Authors: | Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R. | Deposit date: | 2020-11-20 | Release date: | 2021-03-24 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor. Elife, 10, 2021
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4I5H
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![BU of 4i5h by Molmil](/molmil-images/mine/4i5h) | |
7KS3
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![BU of 7ks3 by Molmil](/molmil-images/mine/7ks3) | GluK2/K5 with L-Glu | Descriptor: | Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera | Authors: | Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R. | Deposit date: | 2020-11-20 | Release date: | 2021-03-24 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor. Elife, 10, 2021
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2W9P
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![BU of 2w9p by Molmil](/molmil-images/mine/2w9p) | Crystal Structure of Potato Multicystatin | Descriptor: | MULTICYSTATIN | Authors: | Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C. | Deposit date: | 2009-01-28 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins. Plant Cell, 21, 2009
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4MVL
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![BU of 4mvl by Molmil](/molmil-images/mine/4mvl) | |
4MW2
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![BU of 4mw2 by Molmil](/molmil-images/mine/4mw2) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472) | Descriptor: | 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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