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5WE1
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BU of 5we1 by Molmil
Structural Basis for Shelterin Bridge Assembly
Descriptor: Protection of telomeres protein poz1,Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ZINC ION
Authors:Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F.
Deposit date:2017-07-06
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
5WE0
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BU of 5we0 by Molmil
Structural Basis for Shelterin Bridge Assembly
Descriptor: DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ...
Authors:Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F.
Deposit date:2017-07-06
Release date:2017-12-20
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
5WE2
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BU of 5we2 by Molmil
Structural Basis for Telomere Length Regulation by the Shelterin Bridge
Descriptor: DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ...
Authors:Kim, J.-K, Liu, J, Hu, X, Sankaran, B, Qiao, F.
Deposit date:2017-07-06
Release date:2017-12-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
4PM5
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BU of 4pm5 by Molmil
Crystal structure of CTX-M-14 S70G beta-lactamase in complex with cefotaxime at 1.26 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.261 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
8SQF
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BU of 8sqf by Molmil
OXA-48 bound to inhibitor CDD-2725
Descriptor: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
Authors:Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2023-05-04
Release date:2024-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8SQG
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BU of 8sqg by Molmil
OXA-48 bound to inhibitor CDD-2801
Descriptor: (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
Authors:Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T.
Deposit date:2023-05-04
Release date:2024-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8SJ3
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BU of 8sj3 by Molmil
Beta-lactamase CTX-M-14 E166Y/N170G
Descriptor: Beta-lactamase CTX-M-14
Authors:Judge, A, Palzkill, T, Sankaran, B, Prasad, B.V.V, Hu, L.
Deposit date:2023-04-17
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of CTX-M-14 E166Y/N170G at 1.5 Angstroms resolution
To Be Published
8T6C
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BU of 8t6c by Molmil
Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-18.2 : A, T33-18.2 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6N
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BU of 8t6n by Molmil
Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-27.1 : A, T33-27.1 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6E
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BU of 8t6e by Molmil
Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-28.3: A, T33-28.3: B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
4P12
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BU of 4p12 by Molmil
Native Structure of the P domain from a GI.7 Norovirus variant.
Descriptor: Major capsid protein
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-02-24
Release date:2014-04-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6011 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P25
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BU of 4p25 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA.
Descriptor: Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-03-01
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4991 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P26
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BU of 4p26 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA
Descriptor: P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-03-01
Release date:2014-04-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4P2N
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BU of 4p2n by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA
Descriptor: Major capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-03-04
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4PM8
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BU of 4pm8 by Molmil
Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution
Descriptor: Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.169 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
4P1V
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BU of 4p1v by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA
Descriptor: P domain of VPI, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-02-27
Release date:2014-04-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5497 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4PMA
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BU of 4pma by Molmil
Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase at 1.39 Angstroms resolution
Descriptor: Beta-lactamase CTX-M-14, SULFATE ION
Authors:Cardenas, A.M, Adamski, C.J, Brown, N.G, Horton, L.B, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
4P3I
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BU of 4p3i by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA.
Descriptor: P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-03-07
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6941 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4PM9
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BU of 4pm9 by Molmil
Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase in complex with cefotaxime at 1.45 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14
Authors:Cardenas, A.M, Adamski, C.J, Sankaran, B, Brown, N.G, Horton, L.B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
4PM7
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BU of 4pm7 by Molmil
Crystal structure of CTX-M-14 S70G:S237A in complex with cefotaxime at 1.29 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
4PM6
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BU of 4pm6 by Molmil
Crystal structure of CTX-M-14 S70G beta-lactamase at 1.56 Angstroms resolution
Descriptor: Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
4QX5
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BU of 4qx5 by Molmil
Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1
Authors:Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C.
Deposit date:2014-07-18
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.318 Å)
Cite:Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.
Biochemistry, 53, 2014
3MYU
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BU of 3myu by Molmil
Mycoplasma genitalium MG289
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, ACETATE ION, High affinity transport system protein p37
Authors:Sippel, K.H, Boehlein, S.K, Govindasamy, L, Namiki, K, Satai, Y, Quirit, J.G, Agbandje-McKenna, M, Goodison, S, Rosser, C.J, Sankaran, B, McKenna, R.
Deposit date:2010-05-11
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into Mycoplasma genitalium metabolism revealed by the structure of MG289, an extracytoplasmic thiamine binding lipoprotein.
Proteins, 79, 2011
4RVA
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BU of 4rva by Molmil
A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation
Descriptor: BICARBONATE ION, Beta-lactamase TEM
Authors:Stojanoski, V, Chow, D.-C, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T.
Deposit date:2014-11-25
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4397 Å)
Cite:A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.
J.Biol.Chem., 290, 2015
4RX3
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BU of 4rx3 by Molmil
A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis
Descriptor: Beta-lactamase TEM, CITRATE ANION
Authors:Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T.
Deposit date:2014-12-08
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.
J.Biol.Chem., 290, 2015

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