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7D6G
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BU of 7d6g by Molmil
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-30
Release date:2021-06-09
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D2K
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BU of 7d2k by Molmil
Crystal structure of rat TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a
Descriptor: 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
Authors:Singh, A.K, Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2020-09-16
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.698 Å)
Cite:Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
5AJL
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BU of 5ajl by Molmil
Sdsa sulfatase tetragonal
Descriptor: ALKYL SULFATASE, ZINC ION
Authors:De la Mora, E, Flores-Hernandez, E, Jakoncic, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A.
Deposit date:2015-02-25
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques
J.Appl.Crystallogr., 48, 2015
7A8X
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BU of 7a8x by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with the HMA domain of Pikh-1 from rice (Oryza sativa)
Descriptor: AVR-Pik protein, NBS-LRR class disease resistance protein
Authors:Maidment, J.H.R, Xiao, G, Franceschetti, M, Banfield, M.J.
Deposit date:2020-08-31
Release date:2021-02-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The allelic rice immune receptor Pikh confers extended resistance to strains of the blast fungus through a single polymorphism in the effector binding interface.
Plos Pathog., 17, 2021
4NP8
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BU of 4np8 by Molmil
Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph)
Descriptor: Microtubule-associated protein tau
Authors:Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N.
Deposit date:2013-11-20
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
6Y2A
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BU of 6y2a by Molmil
Crystal structure of HLA-B2705 complexed with the nona-peptide mQ
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A.
Deposit date:2020-02-15
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A CENTRAL PEPTIDE RESIDUE CAN CONTROL MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
6Y2B
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BU of 6y2b by Molmil
Crystal structure of HLA-B2709 complexed with the nona-peptide mQ
Descriptor: Beta-2-microglobulin, GLYCEROL, Lymphocyte antigen HLA-B27, ...
Authors:Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A.
Deposit date:2020-02-15
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:A CENTRAL PEPTIDE RESIDUE CAN CONTROL MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
6Y27
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BU of 6y27 by Molmil
Crystal structure of HLA-B2709 complexed with the nona-peptide mA
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A.
Deposit date:2020-02-15
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A CENTRAL PEPTIDE RESIDUE CAN CONTROL MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
5NL8
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BU of 5nl8 by Molmil
Pex4 of Hansenula Polymorpha
Descriptor: Ubiquitin-conjugating enzyme E2-21 kDa
Authors:Groves, M, Williams, C.
Deposit date:2017-04-04
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex.
Biochem. Biophys. Res. Commun., 496, 2018
1BMA
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BU of 1bma by Molmil
BENZYL METHYL AMINIMIDE INHIBITOR COMPLEXED TO PORCINE PANCREATIC ELASTASE
Descriptor: (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
Authors:Peisach, E, Casebier, D, Gallion, S.L, Furth, P, Petsko, G.A, Hogan Jr, J.C, Ringe, D.
Deposit date:1995-05-01
Release date:1995-12-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of a peptidomimetic aminimide inhibitor with elastase.
Science, 269, 1995
7TD6
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BU of 7td6 by Molmil
aRML prion fibril
Descriptor: Major prion protein
Authors:Hoyt, F, Standke, H.G, Artikis, E, Caughey, B, Kraus, A.
Deposit date:2021-12-30
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of anchorless RML prion reveals variations in shared motifs between distinct strains.
Nat Commun, 13, 2022
4IGD
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BU of 4igd by Molmil
Crystal structure of the zymogen catalytic region of Human MASP-1
Descriptor: GLYCEROL, Mannan-binding lectin serine protease 1
Authors:Harmat, V, Megyeri, M, Vegh, A, Dobo, J.
Deposit date:2012-12-17
Release date:2013-02-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Quantitative characterization of the activation steps of mannan-binding lectin (MBL)-associated serine proteases (MASPs) points to the central role of MASP-1 in the initiation of the complement lectin pathway
J.Biol.Chem., 288, 2013
7UAB
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BU of 7uab by Molmil
Human pro-meprin alpha (zymogen state)
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C.
Deposit date:2022-03-12
Release date:2022-11-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor.
Nat Commun, 13, 2022
4DKL
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BU of 4dkl by Molmil
Crystal structure of the mu-opioid receptor bound to a morphinan antagonist
Descriptor: CHLORIDE ION, CHOLESTEROL, Mu-type opioid receptor, ...
Authors:Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Mathiesen, J.M, Sunahara, R.K, Pardo, L, Weis, W.I, Kobilka, B.K, Granier, S.
Deposit date:2012-02-03
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the {mu}-opioid receptor bound to a morphinan antagonist.
Nature, 485, 2012
1SSX
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BU of 1ssx by Molmil
0.83A resolution crystal structure of alpha-lytic protease at pH 8
Descriptor: Alpha-lytic protease, GLYCEROL, SULFATE ION
Authors:Fuhrmann, C.N, Agard, D.A.
Deposit date:2004-03-24
Release date:2004-05-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:The 0.83A Resolution Crystal Structure of alpha-Lytic Protease Reveals the Detailed Structure of the Active Site and Identifies a Source of Conformational Strain.
J.Mol.Biol., 338, 2004
2G81
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BU of 2g81 by Molmil
Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with Beta-trypsin at 1.55 Angstrons Resolution
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Bowman-Birk type seed trypsin and chymotrypsin inhibitor, ...
Authors:Freitas, S.M, Barbosa, J.A.R.G, Paulino, L.S, Teles, R.C.L, Esteves, G.F, Ventura, M.M.
Deposit date:2006-03-01
Release date:2007-01-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with {beta}-Trypsin at 1.55 A Resolution and Its Structural Properties in Association with Proteinases
Biophys.J., 92, 2007
4W9A
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BU of 4w9a by Molmil
Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2
Descriptor: Gamma-crystallin B
Authors:Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
Deposit date:2014-08-27
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
4WD4
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BU of 4wd4 by Molmil
Crystal structure of human HO1 H25R
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K.
Deposit date:2014-09-06
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
2J8J
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BU of 2j8j by Molmil
Solution Structure of the A4 Domain of Blood Coagulation Factor XI
Descriptor: COAGULATION FACTOR XI
Authors:Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H.
Deposit date:2006-10-25
Release date:2007-10-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
2J8L
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BU of 2j8l by Molmil
FXI Apple 4 domain loop-out conformation
Descriptor: COAGULATION FACTOR XI
Authors:Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H.
Deposit date:2006-10-25
Release date:2007-10-02
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
4LXD
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BU of 4lxd by Molmil
Bcl_2-Navitoclax Analog (without Thiophenyl) Complex
Descriptor: 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2
Authors:Park, C.H.
Deposit date:2013-07-29
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4MAN
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BU of 4man by Molmil
Bcl_2-Navitoclax Analog (with Indole) Complex
Descriptor: 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2
Authors:Park, C.H.
Deposit date:2013-08-16
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4LVT
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BU of 4lvt by Molmil
Bcl_2-Navitoclax (ABT-263) Complex
Descriptor: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2
Authors:Park, C.H.
Deposit date:2013-07-26
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4OPH
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BU of 4oph by Molmil
X-ray structure of full-length H6N6 NS1
Descriptor: Nonstructural protein 1
Authors:Carrillo, B, Choi, J.M, Bornholdt, Z.A, Sankaran, S, Rice, A.P, Prasad, B.V.V.
Deposit date:2014-02-05
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.158 Å)
Cite:The Influenza A Virus Protein NS1 Displays Structural Polymorphism.
J.Virol., 88, 2014
3M0P
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BU of 3m0p by Molmil
Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 4.
Descriptor: SULFATE ION, Spectrin alpha chain, brain
Authors:Camara-Artigas, A, Gavira, J.A.
Deposit date:2010-03-03
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures
Acta Crystallogr.,Sect.D, 2011

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