4OXY
 
 | | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA | | Descriptor: | 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-09 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3501 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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4OHU
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-01-18 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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4BGM
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride | | Descriptor: | 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-03-27 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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5EDF
 | | Crystal structure of the selenomethionine-substituted iron-regulated protein FrpD from Neisseria meningitidis | | Descriptor: | AZIDE ION, FrpC operon protein, HEXAETHYLENE GLYCOL, ... | | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | | Deposit date: | 2015-10-21 | | Release date: | 2017-02-01 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis.
Sci Rep, 7, 2017
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5DZL
 | | Crystal structure of the protein human CEACAM1 | | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1 | | Authors: | Huang, Y.H, Russell, A, Gandhi, A.K, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S. | | Deposit date: | 2015-09-25 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.4006 Å) | | Cite: | CEACAM1 regulates TIM-3-mediated tolerance and exhaustion.
Nature, 517, 2015
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5E5X
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5E2X
 | | The crystal structure of the C-terminal domain of Ebola (Tai Forest) nucleoprotein | | Descriptor: | NONAETHYLENE GLYCOL, NP | | Authors: | Baker, L.E, Handing, K.B, Derewenda, U, Utepbergenov, D, Derewenda, Z.S. | | Deposit date: | 2015-10-01 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses.
Acta Crystallogr D Struct Biol, 72, 2016
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4OXN
 | | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2926 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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5DL6
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5VOS
 | | VGSNKGAIIGL from Amyloid Beta determined by MicroED | | Descriptor: | Amyloid beta A4 protein | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S, Griner, S.L, Gonen, T. | | Deposit date: | 2017-05-03 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.42 Å) | | Cite: | Common fibrillar spines of amyloid-beta and human islet amyloid polypeptide revealed by microelectron diffraction and structure-based inhibitors.
J. Biol. Chem., 293, 2018
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8TNC
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8TND
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8TNB
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3ENS
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3EFX
 | | Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin, 1.9A crystal structure reveals the details | | Descriptor: | Cholera enterotoxin subunit B, Heat-labile enterotoxin B chain, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose | | Authors: | Holmner, A, Lebens, M, Teneberg, S, Angstrom, J, Okvist, M, Krengel, U. | | Deposit date: | 2008-09-10 | | Release date: | 2008-09-23 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin: 1.9 A crystal structure reveals the details
Structure, 12, 2004
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1SJQ
 | | NMR Structure of RRM1 from Human Polypyrimidine Tract Binding Protein Isoform 1 (PTB1) | | Descriptor: | Polypyrimidine tract-binding protein 1 | | Authors: | Simpson, P.J, Monie, T.P, Szendroi, A, Davydova, N, Tyzack, J.K, Conte, M.R, Read, C.M, Cary, P.D, Svergun, D.I, Konarev, P.V, Petoukhov, M.V, Curry, S, Matthews, S.J. | | Deposit date: | 2004-03-04 | | Release date: | 2004-09-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and RNA Interactions of the N-Terminal RRM Domains of PTB
Structure, 12, 2004
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8TN1
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8TN6
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4PVX
 | | Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rodionov, D, Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-03-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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4Q8R
 | | Crystal structure of a Phosphate Binding Protein (PBP-1) from Clostridium perfringens | | Descriptor: | PHOSPHATE ION, Phosphate ABC transporter, phosphate-binding protein, ... | | Authors: | Gonzalez, D, Richez, M, Bergonzi, C, Chabriere, E, Elias, M. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the phosphate-binding protein (PBP-1) of an ABC-type phosphate transporter from Clostridium perfringens.
Sci Rep, 4, 2014
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4PVY
 | | Crystal structure of human FPPS in complex with [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rodionov, D, Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-03-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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4QE8
 | | FXR with DM175 and NCoA-2 peptide | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | | Deposit date: | 2014-05-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | FXR with DM175 and NCoA-2 peptide
To be Published
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4PZF
 | | Berberine bridge enzyme G164A variant, a reticuline dehydrogenase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, ... | | Authors: | Zafred, D, Wallner, S, Steiner, B, Macheroux, P. | | Deposit date: | 2014-03-30 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
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7KN5
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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4QK8
 | | Thermoanaerobacter pseudethanolicus c-di-AMP riboswitch | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, C-di-AMP riboswitch, MAGNESIUM ION, ... | | Authors: | Gao, A, Serganov, A. | | Deposit date: | 2014-06-05 | | Release date: | 2014-08-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural insights into recognition of c-di-AMP by the ydaO riboswitch.
Nat.Chem.Biol., 10, 2014
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