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3Q1J
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BU of 3q1j by Molmil
Crystal structure of tudor domain 1 of human PHD finger protein 20
Descriptor: PHD finger protein 20, UNKNOWN ATOM OR ION
Authors:Tempel, W, Li, Z, Wernimont, A.K, Chao, X, Bian, C, Lam, R, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-12-17
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of the Tudor domains of human PHF20 reveal novel structural variations on the Royal Family of proteins.
Febs Lett., 586, 2012
3L5S
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BU of 3l5s by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution
Descriptor: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
6WJL
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BU of 6wjl by Molmil
Crystal structure of Glypican-2 core protein in complex with D3 Fab
Descriptor: D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ...
Authors:Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P.
Deposit date:2020-04-14
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope.
Cell Rep Med, 2, 2021
3L5V
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BU of 3l5v by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5P
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BU of 3l5p by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyridazinol inhibitor at 1.80A resolution
Descriptor: 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
6AG0
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BU of 6ag0 by Molmil
The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION
Authors:Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M.
Deposit date:2018-08-09
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
Int.J.Biol.Macromol., 138, 2019
6XXV
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BU of 6xxv by Molmil
Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57
Descriptor: Antibody C57, Heavy Chain, Light Chain, ...
Authors:Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F.
Deposit date:2020-01-28
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.20116425 Å)
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
4PZV
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BU of 4pzv by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2014-03-31
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
8K8S
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BU of 8k8s by Molmil
F8-A22-E4 complex of MPXV in complex with DNA and Ara-CTP
Descriptor: 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ...
Authors:Shen, Y.P, Li, Y.N, Yan, R.H.
Deposit date:2023-07-31
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
8K8U
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BU of 8k8u by Molmil
F8-A22-E4 complex of MPXV in complex with DNA and dCTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ...
Authors:Shen, Y.P, Li, Y.N, Yan, R.H.
Deposit date:2023-07-31
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
1BO9
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BU of 1bo9 by Molmil
NMR SOLUTION STRUCTURE OF DOMAIN 1 OF HUMAN ANNEXIN I
Descriptor: PROTEIN (ANNEXIN I)
Authors:Gao, J, Yan Li, H.
Deposit date:1998-08-10
Release date:1998-08-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of domain 1 of human annexin I shows an autonomous folding unit.
J.Biol.Chem., 274, 1999
6XWI
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BU of 6xwi by Molmil
Solution NMR structure of the S0_2.126 designed protein
Descriptor: S0_2.126
Authors:Abriata, L.A.
Deposit date:2020-01-23
Release date:2020-04-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
1C6Z
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BU of 1c6z by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C70
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BU of 1c70 by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-29
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
4J3J
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BU of 4j3j by Molmil
Crystal Structure of DPP-IV with Compound C3
Descriptor: Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Authors:Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
Deposit date:2013-02-05
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors
Chemmedchem, 8, 2013
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
Descriptor: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3P71
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BU of 3p71 by Molmil
Crystal structure of the complex of LCMT-1 and PP2A
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, DI(HYDROXYETHYL)ETHER, Leucine carboxyl methyltransferase 1, ...
Authors:Xing, Y, Stanevich, V, Satyshur, K.A, Jiang, L.
Deposit date:2010-10-11
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structural Basis for Tight Control of PP2A Methylation and Function by LCMT-1.
Mol.Cell, 41, 2011
1HRI
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BU of 1hri by Molmil
STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Descriptor: 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
Authors:Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
7OSL
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BU of 7osl by Molmil
Cryo-EM structure of nonameric EPEC SctV-C
Descriptor: Translocator EscV
Authors:Fahrenkamp, D, Wald, J, Yuan, B, Marlovits, T.C.
Deposit date:2021-06-09
Release date:2021-09-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Dynamics of the Functional Nonameric Type III Translocase Export Gate.
J.Mol.Biol., 433, 2021
7YF1
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BU of 7yf1 by Molmil
Structure of FABP at 1.7 Angstroms resolution.
Descriptor: Fatty acid-binding protein, heart, PALMITIC ACID
Authors:Liu, Y.h, Wang, L.l.
Deposit date:2022-07-07
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into Mouse H-FABP.
Life, 12, 2022
7MFB
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BU of 7mfb by Molmil
Crystal structure of antibody 10E8v4 Fab - light chain H31F variant
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
7MFA
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BU of 7mfa by Molmil
Crystal structure of antibody 10E8v4-P100fA+P100gA Fab
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
7MF7
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BU of 7mf7 by Molmil
Crystal structure of antibody 10E8v4-P100gA Fab
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021

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