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7SPP
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BU of 7spp by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 2C02
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2021-11-02
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography.
Nat Commun, 12, 2021
7SPO
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BU of 7spo by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 3B4
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Shi, K, Aihara, H.
Deposit date:2021-11-02
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography.
Nat Commun, 12, 2021
7SMU
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BU of 7smu by Molmil
Crystal Structure of Consomatin-Ro1
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol, Consomatin-Ro1
Authors:Ramiro, I.B.L, Whitby, F.G, Hill, C.P, Safavi-Hemami, H, Concepcion, G.P, Olivera, B.M.
Deposit date:2021-10-26
Release date:2022-04-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Somatostatin venom analogs evolved by fish-hunting cone snails: From prey capture behavior to identifying drug leads.
Sci Adv, 8, 2022
7SZO
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BU of 7szo by Molmil
Structure of a bacterial fimbrial tip containing FocH
Descriptor: Chaperone protein FimC, FimF protein, FimG, ...
Authors:Stenkamp, R.E, Le Trong, I, Aprikian, P, Sokurenko, E.V.
Deposit date:2021-11-29
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recombinant FimH Adhesin Demonstrates How the Allosteric Catch Bond Mechanism Can Support Fast and Strong Bacterial Attachment in the Absence of Shear.
J.Mol.Biol., 434, 2022
7SZ9
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BU of 7sz9 by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ...
Authors:Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D.
Deposit date:2021-11-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
1AIZ
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BU of 1aiz by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: AZURIN, CADMIUM ION, SULFATE ION
Authors:Baker, E.N, Anderson, B.F, Blackwell, K.A.
Deposit date:1993-11-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
2OXP
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BU of 2oxp by Molmil
Crystal Structure of Staphylococcal Nuclease mutant V66D/P117G/H124L/S128A
Descriptor: THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Garcia-Moreno, E.B, Gittis, A.G, Karp, D.A.
Deposit date:2007-02-20
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:High apparent dielectric constant inside a protein reflects structural reorganization coupled to the ionization of an internal asp
Biophys.J., 92, 2007
1AZC
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BU of 1azc by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION, SULFATE ION
Authors:Baker, E.N, Shepard, W.E.B, Kingston, R.L.
Deposit date:1992-12-16
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1AZB
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BU of 1azb by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION, SULFATE ION
Authors:Baker, E.N, Shepard, W.E.B.
Deposit date:1992-12-16
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
2QSQ
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BU of 2qsq by Molmil
Crystal structure of the N-terminal domain of carcinoembryonic antigen (CEA)
Descriptor: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 5, GLYCEROL
Authors:Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E.
Deposit date:2007-07-31
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
2QST
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BU of 2qst by Molmil
Crystal structure of the V39C mutant of the N-terminal domain of carcinoembryonic antigen (CEA)
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 5
Authors:Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E.
Deposit date:2007-07-31
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
1CM1
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BU of 1cm1 by Molmil
MOTIONS OF CALMODULIN-SINGLE-CONFORMER REFINEMENT
Descriptor: CALCIUM ION, CALMODULIN, CALMODULIN-DEPENDENT PROTEIN KINASE II-ALPHA
Authors:Wall, M.E, Phillips Jr, G.N.
Deposit date:1997-09-23
Release date:1998-03-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
1CM4
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BU of 1cm4 by Molmil
Motions of calmodulin-four-conformer refinement
Descriptor: CALCIUM ION, CALMODULIN, CALMODULIN-DEPENDENT PROTEIN KINASE II-ALPHA
Authors:Wall, M.E, Phillips Jr, G.N.
Deposit date:1997-09-23
Release date:1998-03-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
6ZOD
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BU of 6zod by Molmil
Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer
Descriptor: 1,2-ETHANEDIOL, DARPIN, DECANE, ...
Authors:Oswald, C, Tam, H.K, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6PH4
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BU of 6ph4 by Molmil
Full length LOV-PAS-HK construct from the LOV-HK sensory protein from Brucella abortus (light-adapted, construct 15-489)
Descriptor: Blue-light-activated histidine kinase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S.
Deposit date:2019-06-25
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
4HTW
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BU of 4htw by Molmil
SIVmac239 capsid N-terminal domain
Descriptor: Gag protein
Authors:Schmidt, A.G.
Deposit date:2012-11-02
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Gain-of-Sensitivity Mutations in a Trim5-Resistant Primary Isolate of Pathogenic SIV Identify Two Independent Conserved Determinants of Trim5alpha Specificity.
Plos Pathog., 9, 2013
4L4Y
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BU of 4l4y by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L4Z
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BU of 4l4z by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L50
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BU of 4l50 by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: (2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L5I
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BU of 4l5i by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L6B
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BU of 4l6b by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP128
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-12
Release date:2014-06-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
4L51
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BU of 4l51 by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L5J
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BU of 4l5j by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4LAP
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BU of 4lap by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP114
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-20
Release date:2014-12-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
4LZ8
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BU of 4lz8 by Molmil
Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-[(3S)-1-{2-fluoro-4-[(5S)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide, ...
Authors:Pandit, J.
Deposit date:2013-07-31
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
J.Med.Chem., 56, 2013

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