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PDB: 3272 results

4RA0
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An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Kariolis, M.S, Kapur, S, Mathews, I.I, Cochran, J.R.
Deposit date:2014-09-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis.
Nat.Chem.Biol., 10, 2014
4R0C
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BU of 4r0c by Molmil
Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology
Descriptor: AbgT putative transporter family, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ...
Authors:Su, C.-C, Bolla, J.R, Yu, E.W.
Deposit date:2014-07-30
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.963 Å)
Cite:Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology.
Nat Commun, 6, 2015
6B74
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BU of 6b74 by Molmil
Structures of the two-chain human plasma Factor XIIa co-crystallized with potent inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Coagulation factor XII, ...
Authors:Dementiev, A.A, Partridge, J.R.
Deposit date:2017-10-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
4QPP
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BU of 4qpp by Molmil
The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE
Descriptor: 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ...
Authors:Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-24
Release date:2014-08-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421
To be Published
4R6C
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BU of 4r6c by Molmil
X-ray diffraction in temporally and spatially resolved biomolecular science: the X-ray crystal structure of hen egg white lysozyme cocrystallized with Ta6Br12 and then a crystal soaked in K2PtBr6
Descriptor: BROMIDE ION, CHLORIDE ION, HEXABROMOPLATINATE(IV), ...
Authors:Helliwell, J.R.
Deposit date:2014-08-24
Release date:2015-02-04
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray diffraction in temporally and spatially resolved biomolecular science.
Faraday Discuss, 177, 2015
6BCM
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BU of 6bcm by Molmil
Structure of a Self-inhibited N475A variant of the Venezuelan Equine Encephalitis Virus (VEEV) nsP2 cysteine protease
Descriptor: GLYCEROL, Protease nsP2, SODIUM ION
Authors:Compton, J.R, Legler, P.M.
Deposit date:2017-10-20
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutation of Asn-475 in the Venezuelan Equine Encephalitis Virus nsP2 Cysteine Protease Leads to a Self-Inhibited State.
Biochemistry, 56, 2017
4RE3
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BU of 4re3 by Molmil
Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, ...
Authors:Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R.
Deposit date:2014-09-21
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
4RE4
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BU of 4re4 by Molmil
Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Beta-mannosidase/beta-glucosidase, ...
Authors:Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R.
Deposit date:2014-09-21
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
6B2N
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BU of 6b2n by Molmil
Crystal structure of TEM-1 beta-lactamase mutant M182N
Descriptor: Beta-lactamase TEM, SULFATE ION
Authors:Jimah, J.R, Tolia, N.H.
Deposit date:2017-09-20
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models.
ACS Cent Sci, 3, 2017
4R9F
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BU of 4r9f by Molmil
CpMnBP1 with Mannobiose Bound
Descriptor: MBP1, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Chekan, J.R, Agarwal, V, Nair, S.K.
Deposit date:2014-09-04
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and Biochemical Basis for Mannan Utilization by Caldanaerobius polysaccharolyticus Strain ATCC BAA-17.
J.Biol.Chem., 289, 2014
6BKW
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BU of 6bkw by Molmil
BTK complex with compound 12
Descriptor: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-09
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BLN
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BTK complex with compound 13
Descriptor: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-10
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
4R9G
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BU of 4r9g by Molmil
CpMnBP1 with Mannotriose Bound
Descriptor: MBP1, ZINC ION, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
Authors:Chekan, J.R, Agarwal, V, Nair, S.K.
Deposit date:2014-09-04
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Basis for Mannan Utilization by Caldanaerobius polysaccharolyticus Strain ATCC BAA-17.
J.Biol.Chem., 289, 2014
4REV
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BU of 4rev by Molmil
Structure of the dirigent protein DRR206
Descriptor: 2,3-DIMETHYLIMIDAZOLIUM ION, CHLORIDE ION, Disease resistance response protein 206, ...
Authors:Kim, K.-Y, Smith, C.A, Merkley, E.D, Cort, J.R, Davin, L.B, Lewis, N.G.
Deposit date:2014-09-24
Release date:2014-11-26
Last modified:2015-02-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Trimeric Structure of (+)-Pinoresinol-forming Dirigent Protein at 1.95 angstrom Resolution with Three Isolated Active Sites.
J.Biol.Chem., 290, 2015
4RG1
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BU of 4rg1 by Molmil
Methyltransferase domain of C9orf114
Descriptor: C9orf114, POLYETHYLENE GLYCOL (N=34), S-1,2-PROPANEDIOL, ...
Authors:Dong, A, Zeng, H, Walker, J.R, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Crystal Structure of Human C9orf114 in complex with S-adenosyl-homocysteine
To be Published
4RGJ
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BU of 4rgj by Molmil
Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
Descriptor: Calcium-dependent protein kinase 4
Authors:Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC)
Deposit date:2014-09-30
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
4R1I
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BU of 4r1i by Molmil
Structure and Function of Neisseria gonorrhoeae MtrF Illuminates a Class of Antimetabolite Efflux Pumps
Descriptor: Aminobenzoyl-glutamate transporter
Authors:Su, C.-C, Bolla, J.R, Yu, E.W.
Deposit date:2014-08-06
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.959 Å)
Cite:Structure and Function of Neisseria gonorrhoeae MtrF Illuminates a Class of Antimetabolite Efflux Pumps.
Cell Rep, 11, 2015
6C6Y
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BU of 6c6y by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain
Descriptor: JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ...
Authors:Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
Deposit date:2018-01-19
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
4PLW
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BU of 4plw by Molmil
Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate.
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PHOSPHATE ION, malate dehydrogenase
Authors:Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L.
Deposit date:2014-05-19
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
4PLC
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BU of 4plc by Molmil
Crystal structure of ancestral apicomplexan lactate dehydrogenase with malate.
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID, ...
Authors:Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L.
Deposit date:2014-05-16
Release date:2014-07-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
4PAR
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BU of 4par by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA
Descriptor: 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-09
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
4P16
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BU of 4p16 by Molmil
Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus
Descriptor: ORF1a, ZINC ION
Authors:Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R.
Deposit date:2014-02-25
Release date:2014-05-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features.
Antiviral Res., 109C, 2014
4PBB
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BU of 4pbb by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI
Descriptor: SULFATE ION, Uncharacterized protein AbaSI
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-11
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
6C6X
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BU of 6c6x by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque.
Descriptor: JC57-14 Heavy chain, JC57-14 Light chain
Authors:Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
Deposit date:2018-01-19
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
6BLW
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BU of 6blw by Molmil
Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-11-11
Release date:2018-01-03
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.835 Å)
Cite:Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018

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