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4LV3
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BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
Descriptor: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4NBJ
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BU of 4nbj by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 2.20 Angstrom resolution
Descriptor: 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
4NU1
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BU of 4nu1 by Molmil
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-12-03
Release date:2014-03-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM3
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BU of 4nm3 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
Descriptor: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4OGR
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BU of 4ogr by Molmil
crystal structure of P-TEFb complex with AFF4 and Tat
Descriptor: ADENOSINE, AF4/FMR2 family member 4, Cyclin-T1, ...
Authors:Schulze-Gahmen, U, Alber, T.
Deposit date:2014-01-16
Release date:2014-05-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:AFF4 binding to Tat-P-TEFb indirectly stimulates TAR recognition of super elongation complexes at the HIV promoter.
Elife, 3, 2014
4NBI
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BU of 4nbi by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 1.86 Angstrom resolution
Descriptor: 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase, TRIETHYLENE GLYCOL
Authors:Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
4NM7
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BU of 4nm7 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM5
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BU of 4nm5 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 c-motif
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Axin-1, CHLORIDE ION, ...
Authors:Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4JTA
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BU of 4jta by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:MacKinnon, R, Banerjee, A, Lee, A, Campbell, E.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JTD
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BU of 4jtd by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JTC
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BU of 4jtc by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
1J4V
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BU of 1j4v by Molmil
CYANOVIRIN-N
Descriptor: CYANOVIRIN-N
Authors:Clore, G.M, Bewley, C.A.
Deposit date:2001-11-21
Release date:2002-03-06
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Using conjoined rigid body/torsion angle simulated annealing to determine the relative orientation of covalently linked protein domains from dipolar couplings.
J.Magn.Reson., 154, 2002
1J47
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BU of 1j47 by Molmil
3D Solution NMR Structure of the M9I Mutant of the HMG-Box Domain of the Human Male Sex Determining Factor SRY Complexed to DNA
Descriptor: 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)-3', 5'-D(*GP*GP*TP*GP*TP*TP*TP*GP*TP*GP*CP*AP*GP*G)-3', SEX-DETERMINING REGION Y PROTEIN
Authors:Clore, G.M, Murphy, E.C.
Deposit date:2001-07-23
Release date:2001-10-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis for SRY-dependent 46-X,Y sex reversal: modulation of DNA bending by a naturally occurring point mutation.
J.Mol.Biol., 312, 2001
1J46
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BU of 1j46 by Molmil
3D Solution NMR Structure of the Wild Type HMG-BOX Domain of the Human Male Sex Determining Factor Sry Complexed to DNA
Descriptor: 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)-3', 5'-D(*GP*GP*TP*GP*TP*TP*TP*GP*TP*GP*CP*AP*GP*G)-3', SEX-DETERMINING REGION Y PROTEIN
Authors:Clore, G.M, Murphy, E.C.
Deposit date:2001-07-23
Release date:2001-10-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis for SRY-dependent 46-X,Y sex reversal: modulation of DNA bending by a naturally occurring point mutation.
J.Mol.Biol., 312, 2001
8RPC
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BU of 8rpc by Molmil
Crystal structure of PfCLK3 with TCMDC-135051
Descriptor: 1,2-ETHANEDIOL, 4-[2-[5-(diethylaminomethyl)-2-methoxy-phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-yl-benzoic acid, GLYCEROL, ...
Authors:Yelland, T.S, Benazir, A, Hole, A.
Deposit date:2024-01-15
Release date:2024-11-06
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Targeting Pf CLK3 with Covalent Inhibitors: A Novel Strategy for Malaria Treatment.
J.Med.Chem., 67, 2024
9B1Q
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BU of 9b1q by Molmil
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PYN1 inhibitor
Descriptor: (5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ...
Authors:Geeraerts, Z, Yeh, S.-R.
Deposit date:2024-03-13
Release date:2024-08-21
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.624 Å)
Cite:Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
J.Med.Chem., 67, 2024
7NPS
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BU of 7nps by Molmil
Structure of the periplasmic assembly from the ESX-5 inner membrane complex, C1 model
Descriptor: ESX-5 secretion system ATPase EccB5, Mycosin-5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-05-26
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
7NPT
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BU of 7npt by Molmil
Cytosolic bridge of an intact ESX-5 inner membrane complex
Descriptor: ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
4WIP
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BU of 4wip by Molmil
DIX domain of human Dvl2
Descriptor: PENTAETHYLENE GLYCOL, Segment polarity protein dishevelled homolog DVL-2
Authors:Fiedler, M, Bienz, M, Madrzak, J, Chin, J.W.
Deposit date:2014-09-26
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Ubiquitination of the Dishevelled DIX domain blocks its head-to-tail polymerization.
Nat Commun, 6, 2015
9N9D
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BU of 9n9d by Molmil
MicroED structure of papain co-crystallized with E-64C
Descriptor: N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-10
Release date:2025-03-26
Method:ELECTRON CRYSTALLOGRAPHY (2.2 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
7NP7
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BU of 7np7 by Molmil
Structure of an intact ESX-5 inner membrane complex, Composite C1 model
Descriptor: ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5, ...
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
9BRZ
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BU of 9brz by Molmil
V0-only V-ATPase and synaptophysin complex in mouse brain isolated synaptic vesicles
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
Deposit date:2024-05-12
Release date:2024-06-19
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
9BRY
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BU of 9bry by Molmil
V0-only V-ATPase in synaptophysin gene knock-out mouse brain isolated synaptic vesicles
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
Deposit date:2024-05-12
Release date:2024-06-19
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
6TRC
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BU of 6trc by Molmil
Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Koelsch, A, Radon, C, Baumert, A, Buerger, J, Mielke, T, Lisdat, F, Zouni, A, Wendler, P.
Deposit date:2019-12-18
Release date:2020-09-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I
Curr.Opin.Struct.Biol., 2, 2020

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