6V3R
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![BU of 6v3r by Molmil](/molmil-images/mine/6v3r) | Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2019-11-26 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8R47
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![BU of 8r47 by Molmil](/molmil-images/mine/8r47) | AL amyloid fibril from the FOR010 light chain | Descriptor: | lambda 3 immunoglobulin light chain fragment, residues 4-116 | Authors: | Pfeiffer, P.B, Banerjee, S, Schmidt, M, Faendrich, M. | Deposit date: | 2023-11-13 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.25 Å) | Cite: | Light chain mutations contribute to defining the fibril morphology in systemic AL amyloidosis. Nat Commun, 15, 2024
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5EJK
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![BU of 5ejk by Molmil](/molmil-images/mine/5ejk) | Crystal structure of the Rous sarcoma virus intasome | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*T)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*CP*TP*C)-3'), ... | Authors: | Yin, Z, Shi, K, Banerjee, S, Aihara, H. | Deposit date: | 2015-11-02 | Release date: | 2016-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystal structure of the Rous sarcoma virus intasome. Nature, 530, 2016
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8Q6S
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![BU of 8q6s by Molmil](/molmil-images/mine/8q6s) | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ... | Authors: | Mazurkewich, S, Seveso, A, Banerjee, S, Lo Leggio, L, Larsbrink, J. | Deposit date: | 2023-08-14 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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2KZT
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![BU of 2kzt by Molmil](/molmil-images/mine/2kzt) | Structure of the Tandem MA-3 Region of Pdcd4 | Descriptor: | Programmed cell death protein 4 | Authors: | Waters, L.C, Strong, S.L, Oka, O, Muskett, F.W, Veverka, V, Banerjee, S, Schmedt, T, Henry, A.J, Klempnauer, K.H, Carr, M.D. | Deposit date: | 2010-06-24 | Release date: | 2011-03-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the tandem MA-3 region of Pdcd4 protein and characterization of its interactions with eIF4A and eIF4G: molecular mechanisms of a tumor suppressor J.Biol.Chem., 286, 2011
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5K0Z
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![BU of 5k0z by Molmil](/molmil-images/mine/5k0z) | Cryo-EM structure of lactate dehydrogenase (LDH) in inhibitor-bound state | Descriptor: | L-lactate dehydrogenase B chain | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5K11
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![BU of 5k11 by Molmil](/molmil-images/mine/5k11) | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5K10
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![BU of 5k10 by Molmil](/molmil-images/mine/5k10) | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5H8T
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![BU of 5h8t by Molmil](/molmil-images/mine/5h8t) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-23 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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4Z0L
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![BU of 4z0l by Molmil](/molmil-images/mine/4z0l) | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | Deposit date: | 2015-03-26 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. Chemmedchem, 11, 2016
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4M11
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![BU of 4m11 by Molmil](/molmil-images/mine/4m11) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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5HBS
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![BU of 5hbs by Molmil](/molmil-images/mine/5hbs) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol at 0.89 angstrom. | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2016-01-02 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5HA1
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![BU of 5ha1 by Molmil](/molmil-images/mine/5ha1) | Crystal structure of human cellular retinol binding protein 1 in complex with retinylamine | Descriptor: | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-29 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5A1A
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![BU of 5a1a by Molmil](/molmil-images/mine/5a1a) | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | Authors: | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | Deposit date: | 2015-04-29 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor Science, 348, 2015
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5H9A
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![BU of 5h9a by Molmil](/molmil-images/mine/5h9a) | Crystal structure of the Apo form of human cellular retinol binding protein 1 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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4M10
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![BU of 4m10 by Molmil](/molmil-images/mine/4m10) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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6WLG
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![BU of 6wlg by Molmil](/molmil-images/mine/6wlg) | Ints3 C-terminal Domain | Descriptor: | Integrator complex subunit 3 | Authors: | Li, J, Ma, X.L, Banerjee, S, Dong, Z.G. | Deposit date: | 2020-04-20 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.111 Å) | Cite: | Structural basis for multifunctional roles of human Ints3 C-terminal domain. J.Biol.Chem., 296, 2020
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6E8C
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![BU of 6e8c by Molmil](/molmil-images/mine/6e8c) | Crystal structure of the double homeodomain of DUX4 in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4 | Authors: | Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H. | Deposit date: | 2018-07-27 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA. Cell Rep, 25, 2018
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6BL3
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![BU of 6bl3 by Molmil](/molmil-images/mine/6bl3) | Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2017-11-09 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site. J.Biol.Chem., 294, 2019
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6BL4
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![BU of 6bl4 by Molmil](/molmil-images/mine/6bl4) | Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2017-11-09 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site. J.Biol.Chem., 294, 2019
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6CVM
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![BU of 6cvm by Molmil](/molmil-images/mine/6cvm) | Atomic resolution cryo-EM structure of beta-galactosidase | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION, ... | Authors: | Subramaniam, S, Bartesaghi, A, Banerjee, S, Zhu, X, Milne, J.L.S. | Deposit date: | 2018-03-28 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | Atomic Resolution Cryo-EM Structure of beta-Galactosidase. Structure, 26, 2018
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4QC9
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![BU of 4qc9 by Molmil](/molmil-images/mine/4qc9) | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4 | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Uracil-DNA glycosylase | Authors: | Sartmatova, D, Nash, T, Schormann, N, Nuth, M, Ricciardi, R, Banerjee, S, Chattopadhyay, D. | Deposit date: | 2014-05-09 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.259 Å) | Cite: | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4 To be Published
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5EKE
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![BU of 5eke by Molmil](/molmil-images/mine/5eke) | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant) | Descriptor: | MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501 | Authors: | Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-03 | Release date: | 2016-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis. Nat Commun, 7, 2016
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5F15
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![BU of 5f15 by Molmil](/molmil-images/mine/5f15) | Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ... | Authors: | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-30 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation. Science, 351, 2016
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5EZM
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![BU of 5ezm by Molmil](/molmil-images/mine/5ezm) | Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose transferase or related glycosyltransferases of PMT family, CHLORIDE ION, ... | Authors: | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-26 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation. Science, 351, 2016
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