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6DTF
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BU of 6dtf by Molmil
Crystal structure of Haemophilus influenzae OppA complex with KKK
Descriptor: LYS-LYS-LYS, Periplasmic oligopeptide-binding protein, SULFATE ION
Authors:Tanaka, K.J, Pinkett, H.W.
Deposit date:2018-06-16
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Pagare, P.P, Musayev, F.N.
Deposit date:2018-05-22
Release date:2018-09-05
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
3C9R
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BU of 3c9r by Molmil
AaThiL complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Thiamine monophosphate kinase
Authors:McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E.
Deposit date:2008-02-18
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of thiamin monophosphate kinase in complex with substrates and products.
Biochemistry, 47, 2008
3BKK
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BU of 3bkk by Molmil
Tesis ACE co-crystal structure with ketone ACE inhibitor kAF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Watermeyer, J.M, Kroger, W.L, O'Neill, H.G, Sewell, B.T, Sturrock, E.D.
Deposit date:2007-12-07
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Probing the basis of domain-dependent inhibition using novel ketone inhibitors of Angiotensin-converting enzyme
Biochemistry, 47, 2008
3C8N
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BU of 3c8n by Molmil
Crystal structure of apo-FGD1 from Mycobacterium tuberculosis
Descriptor: Probable F420-dependent glucose-6-phosphate dehydrogenase FGD1
Authors:Bashiri, G, Squire, C.J, Moreland, N.J, Baker, E.N.
Deposit date:2008-02-12
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding.
J.Biol.Chem., 283, 2008
3BL7
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BU of 3bl7 by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG156844
Descriptor: 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
Authors:Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
6DS8
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BU of 6ds8 by Molmil
Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
Descriptor: CHLORIDE ION, Heme-degrading monooxygenase HmoB, MANGANESE PROTOPORPHYRIN IX
Authors:Chao, A, Goulding, C.W.
Deposit date:2018-06-13
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
To Be Published
6DTW
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BU of 6dtw by Molmil
HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W.
Deposit date:2018-06-18
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.742 Å)
Cite:Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
3BTE
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BU of 3bte by Molmil
The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI.
Descriptor: CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ...
Authors:Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O.
Deposit date:1999-03-11
Release date:2000-03-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
3BRK
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BU of 3brk by Molmil
Crystal Structure of ADP-Glucose Pyrophosphorylase from Agrobacterium tumefaciens
Descriptor: Glucose-1-phosphate adenylyltransferase, SULFATE ION
Authors:Cupp-Vickery, J, Meyer, C, Igarashi, R.
Deposit date:2007-12-21
Release date:2008-04-22
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of ADP-glucose pyrophosphorylase from the bacterium Agrobacterium tumefaciens.
Biochemistry, 47, 2008
3BVD
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BU of 3bvd by Molmil
Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Chen, Y, Fee, J.A, Stout, C.D.
Deposit date:2008-01-07
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Crystallographic Studies of Xe and Kr Binding within the Large Internal Cavity of Cytochrome ba3 from Thermus thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases.
Biochemistry, 47, 2008
6DJN
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BU of 6djn by Molmil
Cryo-EM structure of ADP-Pi-actin filaments
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Chou, S.Z, Pollard, T.D.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanism of actin polymerization revealed by cryo-EM structures of actin filaments with three different bound nucleotides.
Proc.Natl.Acad.Sci.USA, 116, 2019
3BTG
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BU of 3btg by Molmil
THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI
Descriptor: CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ...
Authors:Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O.
Deposit date:1999-03-10
Release date:2000-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
6DMB
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BU of 6dmb by Molmil
Cryo-EM structure of human Ptch1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Yan, N, Gong, X, Qian, H.W.
Deposit date:2018-06-04
Release date:2018-07-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
6DNA
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BU of 6dna by Molmil
Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1)
Descriptor: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
Deposit date:2018-06-06
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
3BVH
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BU of 3bvh by Molmil
Crystal Structure of Recombinant gammaD364A Fibrinogen Fragment D with the Peptide Ligand Gly-Pro-Arg-Pro-Amide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-mer peptide GPRP, CALCIUM ION, ...
Authors:Bowley, S.R, Merenbloom, B.K, Betts, L, Okumura, N, Heroux, A, Gorkun, O.V, Lord, S.T.
Deposit date:2008-01-07
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Polymerization-defective fibrinogen variant gammaD364A binds knob "A" peptide mimic.
Biochemistry, 47, 2008
6DBU
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BU of 6dbu by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs
Descriptor: CALCIUM ION, Forward strand RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6DCN
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BU of 6dcn by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108pThr
Descriptor: BCL-xl protein, Beclin-1
Authors:Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
Deposit date:2018-05-07
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6DDT
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BU of 6ddt by Molmil
mouse beta-mannosidase (MANBA)
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:Gytz, H, Liang, J, Liang, Y, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2018-05-10
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of mammalian beta-mannosidase provides insight into beta-mannosidosis and nystagmus.
FEBS J., 286, 2019
3B37
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BU of 3b37 by Molmil
Crystal structure of E. coli Aminopeptidase N in complex with Tyrosine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A.
Deposit date:2007-10-19
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the unusual specificity of Escherichia coli aminopeptidase N.
Biochemistry, 47, 2008
6DBI
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BU of 6dbi by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates
Descriptor: CALCIUM ION, Forward strand of 12-RSS signal end, Forward strand of 23-RSS signal end, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6DO1
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BU of 6do1 by Molmil
Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-like peptide S1I8, ...
Authors:Wingler, L.M, McMahon, C, Staus, D.P, Lefkowitz, R.J, Kruse, A.C.
Deposit date:2018-06-08
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Distinctive Activation Mechanism for Angiotensin Receptor Revealed by a Synthetic Nanobody.
Cell, 176, 2019
3B34
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BU of 3b34 by Molmil
Crystal structure of E. coli Aminopeptidase N in complex with Phenylalanine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A.
Deposit date:2007-10-19
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for the unusual specificity of Escherichia coli aminopeptidase N.
Biochemistry, 47, 2008
6DQT
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BU of 6dqt by Molmil
Crystal structure of Haemophilus influenzae OppA complex with LGG
Descriptor: ACETATE ION, LEU-GLY-GLY, Periplasmic oligopeptide-binding protein, ...
Authors:Tanaka, K.J, Pinkett, H.W.
Deposit date:2018-06-11
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
6DRD
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BU of 6drd by Molmil
RNA Pol II(G)
Descriptor: DNA-directed RNA polymerase II subunit GRINL1A, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ...
Authors:Yu, X, Jishage, M, Shi, Y, Ganesan, S, Sali, A, Chait, B.T, Asturias, F, Roeder, R.G.
Deposit date:2018-06-11
Release date:2019-06-12
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Architecture of Pol II(G) and molecular mechanism of transcription regulation by Gdown1.
Nat. Struct. Mol. Biol., 25, 2018

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