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4AMI
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BU of 4ami by Molmil
Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol
Descriptor: 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10
Authors:Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
Deposit date:2012-03-11
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
5LAC
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BU of 5lac by Molmil
SeMet Labeled Derivative of Cavally Virus 3CL Protease
Descriptor: 3Cl Protease, GLYCEROL
Authors:Kanitz, M, Heine, A, Diederich, W.E.
Deposit date:2016-06-14
Release date:2017-07-12
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
6JGJ
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BU of 6jgj by Molmil
Crystal structure of the F99S/M153T/V163A/E222Q variant of GFP at 0.78 A
Descriptor: Green fluorescent protein, MAGNESIUM ION
Authors:Takaba, K, Tai, Y, Hanazono, Y, Miki, K, Takeda, K.
Deposit date:2019-02-14
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.78 Å)
Cite:Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
6JGH
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BU of 6jgh by Molmil
Crystal structure of the F99S/M153T/V163A/T203I variant of GFP at 0.94 A
Descriptor: CHLORIDE ION, Green fluorescent protein
Authors:Eki, H, Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K.
Deposit date:2019-02-14
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
3Q5Z
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BU of 3q5z by Molmil
Crystal structure of virulent allele ROP5B pseudokinase domain
Descriptor: 1,2-ETHANEDIOL, ROP5B
Authors:Reese, M.L, Boothroyd, J.C.
Deposit date:2010-12-30
Release date:2011-02-23
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A conserved non-canonical motif in the pseudoactive site of the ROP5 pseudokinase domain mediates its effect on Toxoplasma virulence.
J.Biol.Chem., 286, 2011
6JGI
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BU of 6jgi by Molmil
Crystal structure of the S65T/F99S/M153T/V163A variant of GFP at 0.85 A
Descriptor: Green fluorescent protein
Authors:Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K.
Deposit date:2019-02-14
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
3Q60
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BU of 3q60 by Molmil
Crystal structure of virulent allele ROP5B pseudokinase domain bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MALONATE ION, ...
Authors:Reese, M.L, Boothroyd, J.C.
Deposit date:2010-12-30
Release date:2011-02-23
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A conserved non-canonical motif in the pseudoactive site of the ROP5 pseudokinase domain mediates its effect on Toxoplasma virulence.
J.Biol.Chem., 286, 2011
4A6E
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BU of 4a6e by Molmil
Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM and N-acetylserotonin
Descriptor: GLYCEROL, HYDROXYINDOLE O-METHYLTRANSFERASE, N-ACETYL SEROTONIN, ...
Authors:Legrand, P, Haouz, A, Shepard, W.
Deposit date:2011-11-01
Release date:2012-11-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway.
J.Pineal Res., 54, 2013
3VRJ
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BU of 3vrj by Molmil
HLA-B*57:01-LTTKLTNTNI in complex with abacavir
Descriptor: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J.
Deposit date:2012-04-11
Release date:2012-05-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
3TPI
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BU of 3tpi by Molmil
THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, ISOLEUCINE, ...
Authors:Huber, R, Bode, W, Deisenhofer, J, Schwager, P.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
4B1T
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BU of 4b1t by Molmil
Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Menzel, A, Neumann, P, Stubbs, M.T.
Deposit date:2012-07-12
Release date:2012-08-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
2VCP
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BU of 2vcp by Molmil
Crystal structure of N-Wasp VC domain in complex with skeletal actin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Gaucher, J.F, Didry, D, Carlier, M.F.
Deposit date:2007-09-26
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interactions of isolated C-terminal fragments of neural Wiskott-Aldrich syndrome protein (N-WASP) with actin and Arp2/3 complex.
J. Biol. Chem., 287, 2012
4WXQ
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BU of 4wxq by Molmil
Crystal Structure of the Myocilin Olfactomedin Domain
Descriptor: CALCIUM ION, HEXAETHYLENE GLYCOL, Myocilin, ...
Authors:Orwig, S.D, Turnage, K.C, Donegan, R.K, Lieberman, R.L.
Deposit date:2014-11-14
Release date:2015-04-01
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for misfolding in myocilin-associated glaucoma.
Hum.Mol.Genet., 24, 2015
6NY0
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BU of 6ny0 by Molmil
Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid, Dihydrofolate reductase type 2, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.
Acs Omega, 4, 2019
2V51
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BU of 2v51 by Molmil
Structure of MAL-RPEL1 complexed to actin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mouilleron, S, Guettler, S, Langer, C.A, Treisman, R, McDonald, N.Q.
Deposit date:2008-10-01
Release date:2008-11-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis for G-actin binding to RPEL motifs from the serum response factor coactivator MAL.
EMBO J., 27, 2008
6NIW
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BU of 6niw by Molmil
Crystal structure of P[6] rotavirus
Descriptor: DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein
Authors:Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A.
Deposit date:2019-01-01
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens.
Plos Pathog., 16, 2020
4XEA
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BU of 4xea by Molmil
Crystal structure of putative M16-like peptidase from Alicyclobacillus acidocaldarius
Descriptor: ACETATE ION, GLYCEROL, NICKEL (II) ION, ...
Authors:Michalska, K, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-12-23
Release date:2015-03-18
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of putative M16-like peptidase from Alicyclobacillus acidocaldarius
To Be Published
6Y95
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BU of 6y95 by Molmil
Ca2+-free Calmodulin mutant N53I
Descriptor: Calmodulin
Authors:Holt, C, Hamborg, L.N, Lau, K, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Petegem, F.V, Overgaard, M.T, Wimmer, R.
Deposit date:2020-03-06
Release date:2020-04-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
6NAN
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BU of 6nan by Molmil
NMR structure determination of Ixolaris and Factor X interaction reveals a noncanonical mechanism of Kunitz inhibition
Descriptor: Ixolaris
Authors:De Paula, V.S, Sgourakis, N.G, Francischetti, I.M.B, Almeida, F.C.L, Monteiro, R.Q, Valente, A.P.
Deposit date:2018-12-06
Release date:2019-06-12
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:NMR structure determination of Ixolaris and factor X(a) interaction reveals a noncanonical mechanism of Kunitz inhibition.
Blood, 134, 2019
6OEQ
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BU of 6oeq by Molmil
Cryo-EM structure of mouse RAG1/2 12RSS-PRC/23RSS-NFC complex (DNA1)
Descriptor: CALCIUM ION, DNA (46-MER), DNA (57-MER), ...
Authors:Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
6OEO
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BU of 6oeo by Molmil
Cryo-EM structure of mouse RAG1/2 NFC complex (DNA1)
Descriptor: CALCIUM ION, DNA (46-MER), DNA (57-MER), ...
Authors:Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
6YTJ
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BU of 6ytj by Molmil
Magnesium chelatase H subunit (ChlH) E625K variant from Synechocystis sp.PCC6803
Descriptor: Mg-chelatase subunit ChlH
Authors:Bisson, C, Hunter, C.N.
Deposit date:2020-04-24
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:The active site of magnesium chelatase.
Nat.Plants, 6, 2020
6YT0
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BU of 6yt0 by Molmil
Magnesium chelatase H subunit (ChlH) E660D variant from Synechocystis sp.PCC6803
Descriptor: Mg-chelatase subunit ChlH
Authors:Bisson, C, Hunter, C.N.
Deposit date:2020-04-23
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The active site of magnesium chelatase.
Nat.Plants, 6, 2020
6AZP
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BU of 6azp by Molmil
A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ramyar, K.X, Geisbrecht, B.V.
Deposit date:2017-09-11
Release date:2017-12-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:A structurally dynamic N-terminal region drives function of the staphylococcal peroxidase inhibitor (SPIN).
J. Biol. Chem., 293, 2018
6YTN
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BU of 6ytn by Molmil
Magnesium chelatase H subunit (ChlH) E660W variant from Synechocystis sp.PCC6803
Descriptor: Mg-chelatase subunit ChlH
Authors:Bisson, C, Hunter, C.N.
Deposit date:2020-04-24
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The active site of magnesium chelatase.
Nat.Plants, 6, 2020

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PDB entries from 2024-10-16

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