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PDB: 1158 results

3PSH
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BU of 3psh by Molmil
Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to Molybdate)
Descriptor: MOLYBDATE ION, protein HI_1472
Authors:Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W.
Deposit date:2010-12-01
Release date:2011-11-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA.
Structure, 19, 2011
3OXZ
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BU of 3oxz by Molmil
Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1
Authors:Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
Deposit date:2010-09-22
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
3PDI
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BU of 3pdi by Molmil
Precursor bound NifEN
Descriptor: IRON/SULFUR CLUSTER, L-Cluster (Fe8S9), Nitrogenase MoFe cofactor biosynthesis protein NifE, ...
Authors:Kaiser, J.T, Hu, Y, Wiig, J.A, Rees, D.C, Ribbe, M.W.
Deposit date:2010-10-22
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Precursor-Bound NifEN: A Nitrogenase FeMo Cofactor Maturase/Insertase.
Science, 331, 2011
3Q44
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BU of 3q44 by Molmil
X-ray crystal structure of PfA-M1 bound to Bestatin derivative 16
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:McGowan, S, Greenbaum, D.C.
Deposit date:2010-12-22
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of new (-)-bestatin-based inhibitor libraries reveals a novel binding mode in the s1 pocket of the essential malaria m1 metalloaminopeptidase.
J.Med.Chem., 54, 2011
3QHY
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BU of 3qhy by Molmil
Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases
Descriptor: Beta-lactamase, Beta-lactamase inhibitory protein II
Authors:Brown, N.G, Chow, D.C, Sankaran, B, Zwart, P, Prasad, B.V.V, Palzkill, T, Berkeley Structural Genomics Center (BSGC)
Deposit date:2011-01-26
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Analysis of the binding forces driving the tight interactions between beta-lactamase inhibitory protein-II (BLIP-II) and class A beta-lactamases.
J.Biol.Chem., 286, 2011
3QL3
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BU of 3ql3 by Molmil
Re-refined coordinates for PDB entry 1RX2
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A.
Deposit date:2011-02-02
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Science, 332, 2011
3Q43
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BU of 3q43 by Molmil
X-ray crystal structure of PfA-M1 bound to bestatin derivative 15
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:McGowan, S, Greenbaum, D.C.
Deposit date:2010-12-22
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of new (-)-bestatin-based inhibitor libraries reveals a novel binding mode in the s1 pocket of the essential malaria m1 metalloaminopeptidase.
J.Med.Chem., 54, 2011
3QHF
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BU of 3qhf by Molmil
Crystal Structure of Fab del2D1, a deletion variant of anti-influenza antibody 2D1
Descriptor: Human monoclonal antibody del2D1, Fab Heavy Chain, Fab Light Chain
Authors:Ekiert, D.C, Wilson, I.A.
Deposit date:2011-01-25
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:An insertion mutation that distorts antibody binding site architecture enhances function of a human antibody.
MBio, 2, 2011
3QI0
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BU of 3qi0 by Molmil
Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases
Descriptor: Beta-lactamase inhibitory protein II, SULFATE ION
Authors:Brown, N.G, Chow, D.C, Sankaran, B, Zwart, P, Prasad, B.V.V, Palzkill, T.
Deposit date:2011-01-26
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of the binding forces driving the tight interactions between beta-lactamase inhibitory protein-II (BLIP-II) and class A beta-lactamases.
J.Biol.Chem., 286, 2011
3QHZ
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BU of 3qhz by Molmil
Crystal Structure of human anti-influenza Fab 2D1
Descriptor: Human monoclonal antibody del2D1, Fab Heavy Chain, Fab Light Chain
Authors:Ekiert, D.C, Wilson, I.A.
Deposit date:2011-01-26
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An insertion mutation that distorts antibody binding site architecture enhances function of a human antibody.
MBio, 2, 2011
3QL0
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BU of 3ql0 by Molmil
Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A.
Deposit date:2011-02-02
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Science, 332, 2011
3R2X
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BU of 3r2x by Molmil
Crystal structure of the de novo designed binding protein HB36.3 in complex the the 1918 influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HB36.3, designed hemagglutinin binding protein, ...
Authors:Ekiert, D.C, Wilson, I.A.
Deposit date:2011-03-14
Release date:2011-05-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Computational design of proteins targeting the conserved stem region of influenza hemagglutinin.
Science, 332, 2011
1TMC
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BU of 1tmc by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF A CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE MISSING THE ALPHA3 DOMAIN OF THE HEAVY CHAIN
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-AW68), DECAMERIC PEPTIDE (EVAPPEYHRK)
Authors:Collins, E.J, Garboczi, D.N, Karpusas, M.N, Wiley, D.C.
Deposit date:1994-12-19
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of a class I major histocompatibility complex molecule missing the alpha 3 domain of the heavy chain.
Proc.Natl.Acad.Sci.USA, 92, 1995
3O6B
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BU of 3o6b by Molmil
A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB) low resolution
Descriptor: Cell division control protein 53, Defective in cullin neddylation protein 1
Authors:Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
Deposit date:2010-07-28
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
3RTR
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BU of 3rtr by Molmil
A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases
Descriptor: Cullin-1, E3 ubiquitin-protein ligase RBX1, ZINC ION
Authors:Calabrese, M.F, Scott, D.C, Duda, D.M, Grace, C.R, Kurinov, I, Kriwacki, R.W, Schulman, B.A.
Deposit date:2011-05-03
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases.
Nat.Struct.Mol.Biol., 18, 2011
5FOQ
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BU of 5foq by Molmil
Acetylcholinesterase in complex with C7653
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Berg, L, Mishra, B.K, Andersson, D.C, Ekstrom, F, Linusson, A.
Deposit date:2015-11-25
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes.
Chemistry, 22, 2016
5NS8
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BU of 5ns8 by Molmil
Crystal structure of beta-glucosidase BglM-G1 mutant H75R from marine metagenome in complex with inhibitor 1-Deoxynojirimycin
Descriptor: 1-DEOXYNOJIRIMYCIN, GLYCEROL, SULFATE ION, ...
Authors:Mhaindarkar, D.C, Gasper, R, Lupilova, N, Leichert, L.I, Hofmann, E.
Deposit date:2017-04-25
Release date:2018-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Loss of a conserved salt bridge in bacterial glycosyl hydrolase BgIM-G1 improves substrate binding in temperate environments.
Commun Biol, 1, 2018
5NS6
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BU of 5ns6 by Molmil
Crystal structure of beta-glucosidase BglM-G1 from marine metagenome
Descriptor: Beta-glucosidase, GLYCEROL, SULFATE ION
Authors:Mhaindarkar, D.C, Gasper, R, Lupilova, N, Leichert, L.I, Hofmann, E.
Deposit date:2017-04-25
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Loss of a conserved salt bridge in bacterial glycosyl hydrolase BgIM-G1 improves substrate binding in temperate environments.
Commun Biol, 1, 2018
5NS7
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BU of 5ns7 by Molmil
Crystal structure of beta-glucosidase BglM-G1 mutant H75R from marine metagenome
Descriptor: GLYCEROL, SULFATE ION, beta-glucosidase M - G1
Authors:Mhaindarkar, D.C, Gasper, R, Lupilova, N, Leichert, L.I, Hofmann, E.
Deposit date:2017-04-25
Release date:2018-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Loss of a conserved salt bridge in bacterial glycosyl hydrolase BgIM-G1 improves substrate binding in temperate environments.
Commun Biol, 1, 2018
1ULA
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BU of 1ula by Molmil
APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
Descriptor: PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
Deposit date:1991-11-05
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991
1ULB
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BU of 1ulb by Molmil
APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
Descriptor: GUANINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
Deposit date:1991-11-05
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991
5OSB
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BU of 5osb by Molmil
GLIC-GABAAR alpha1 chimera crystallized in complex with THDOC at pH4.5
Descriptor: ACETATE ION, CHLORIDE ION, Proton-gated ion channel,Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Laverty, D.C, Gold, M.G, Smart, T.G.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites.
Nat. Struct. Mol. Biol., 24, 2017
5OSC
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BU of 5osc by Molmil
GLIC-GABAAR alpha1 chimera crystallized in complex with pregnenolone sulfate at pH 4.5
Descriptor: ACETATE ION, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Laverty, D.C, Gold, M.G, Smart, T.G.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites.
Nat. Struct. Mol. Biol., 24, 2017
5OSA
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BU of 5osa by Molmil
GLIC-GABAAR alpha1 chimera crystallized at pH4.6
Descriptor: ACETATE ION, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Laverty, D.C, Gold, M.G, Smart, T.G.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75000238 Å)
Cite:Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites.
Nat. Struct. Mol. Biol., 24, 2017
3TUJ
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BU of 3tuj by Molmil
Inward facing conformations of the MetNI methionine ABC transporter: DM crystal form
Descriptor: D-methionine transport system permease protein metI, Methionine import ATP-binding protein MetN
Authors:Johnson, E, Nguyen, P, Rees, D.C.
Deposit date:2011-09-16
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (4 Å)
Cite:Inward facing conformations of the MetNI methionine ABC transporter: Implications for the mechanism of transinhibition.
Protein Sci., 21, 2012

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