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2PLZ
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BU of 2plz by Molmil
Arg-modified human beta-defensin 1 (HBD1)
Descriptor: Beta-defensin 1, SULFATE ION
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2007-04-20
Release date:2007-05-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Toward understanding the cationicity of defensins. Arg and Lys versus their noncoded analogs.
J.Biol.Chem., 282, 2007
3IUX
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BU of 3iux by Molmil
Crystal structure of human MDM2 in complex with a potent miniature protein inhibitor (18-residues)
Descriptor: ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Pazgier, M, Lu, W.
Deposit date:2009-08-31
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Apamin as a template for structure-based rational design of potent peptide activators of p53.
Angew.Chem.Int.Ed.Engl., 48, 2009
3LRY
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BU of 3lry by Molmil
Crystal structure of synthetic HIV-1 capsid C-terminal domain (CCA)
Descriptor: HIV-1 capsid protein
Authors:Pazgier, M, Lu, W.
Deposit date:2010-02-11
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Limitations of peptide retro-inverso isomerization in molecular mimicry.
J.Biol.Chem., 285, 2010
1DS3
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BU of 1ds3 by Molmil
CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I
Descriptor: OVOMUCOID
Authors:Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:2000-01-06
Release date:2001-01-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
1DS2
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BU of 1ds2 by Molmil
CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I
Descriptor: OVOMUCOID, PROTEINASE B (SGPB)
Authors:Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:2000-01-06
Release date:2001-01-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
6PUS
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BU of 6pus by Molmil
Human TRPM2 bound to ADPR and calcium
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6PUR
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BU of 6pur by Molmil
Human TRPM2 bound to ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6PUU
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BU of 6puu by Molmil
Human TRPM2 bound to 8-Br-cADPR and calcium
Descriptor: (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6PUO
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BU of 6puo by Molmil
Human TRPM2 in the apo state
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6PXD
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BU of 6pxd by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor, Apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glycine receptor subunit alphaZ1
Authors:Du, J, Lu, W, Gouaux, E.
Deposit date:2019-07-25
Release date:2021-02-10
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
4DU0
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BU of 4du0 by Molmil
Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant)
Descriptor: CHLORIDE ION, GLYCEROL, Neutrophil defensin 1
Authors:Wu, X, Lu, W, Pazgier, M.
Deposit date:2012-02-21
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1
J.Biol.Chem., 287, 2012
2SGP
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BU of 2sgp by Molmil
PRO 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5
Descriptor: OVOMUCOID INHIBITOR, PHOSPHATE ION, PROTEINASE B
Authors:Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-03-25
Release date:2001-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
4EYC
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BU of 4eyc by Molmil
Crystal structure of the cathelin-like domain of human cathelicidin LL-37 (hCLD)
Descriptor: Cathelicidin antimicrobial peptide
Authors:Pazgier, M, Pozharski, E, Toth, E, Lu, W.
Deposit date:2012-05-01
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of the Pro-Domain of Human Cathelicidin, LL-37.
Biochemistry, 52, 2013
2SGQ
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BU of 2sgq by Molmil
GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5
Descriptor: Ovomucoid, PHOSPHATE ION, Streptogrisin B
Authors:Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-03-25
Release date:2003-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
2SGF
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BU of 2sgf by Molmil
PHE 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
Descriptor: Ovomucoid, PHOSPHATE ION, Streptogrisin B
Authors:Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-03-25
Release date:2003-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
2SGD
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BU of 2sgd by Molmil
ASP 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7
Descriptor: Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-03-25
Release date:2003-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
4Z3S
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BU of 4z3s by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic A201A, mRNA and three tRNAs in the A, P and E sites at 2.65A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine, ...
Authors:Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N.
Deposit date:2015-03-31
Release date:2015-06-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A.
Mol.Cell, 58, 2015
3LNJ
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BU of 3lnj by Molmil
Crystal structure of human MDM2 in complex with D-peptide inhibitor (DPMI-alpha)
Descriptor: CHLORIDE ION, D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Pazgier, M, Lu, W.
Deposit date:2010-02-02
Release date:2010-03-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A left-handed solution to peptide inhibition of the p53-MDM2 interaction.
Angew.Chem.Int.Ed.Engl., 49, 2010
5SVR
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BU of 5svr by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist A-317491
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, MAGNESIUM ION, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVJ
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BU of 5svj by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel in the closed, apo state
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVQ
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BU of 5svq by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist TNP-ATP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, P2X purinoceptor 3, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVM
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BU of 5svm by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel bound to agonist 2-methylthio-ATP in the desensitized state
Descriptor: 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.093 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVP
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BU of 5svp by Molmil
Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state
Descriptor: 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVK
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BU of 5svk by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
5SVT
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BU of 5svt by Molmil
Anomalous Cs+ signal reveals the site of Na+ ion entry to the channel pore of the human P2X3 ion channel through the extracellular fenestrations
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, P2X purinoceptor 3, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-07
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.794 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016

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