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5RDM
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BU of 5rdm by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 46
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RE3
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BU of 5re3 by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 12
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC3
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BU of 5rc3 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F03a
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCM
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BU of 5rcm by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 07
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCZ
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BU of 5rcz by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 21
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDE
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BU of 5rde by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 36
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDR
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BU of 5rdr by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 48
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBZ
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BU of 5rbz by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E05a
Descriptor: 2-(2-methylphenyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCG
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BU of 5rcg by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H11a
Descriptor: 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCW
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BU of 5rcw by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 18
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDG
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BU of 5rdg by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 38
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDW
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BU of 5rdw by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 53
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDY
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BU of 5rdy by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 55
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBO
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BU of 5rbo by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library A07a
Descriptor: (2-aminopyridin-3-yl)methanol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC2
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BU of 5rc2 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E11b
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBT
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BU of 5rbt by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C11b
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCJ
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BU of 5rcj by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 04
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCA
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BU of 5rca by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G08b
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCY
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BU of 5rcy by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 20
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDD
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BU of 5rdd by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 35
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCQ
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BU of 5rcq by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 11
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDU
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BU of 5rdu by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 51
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RD4
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BU of 5rd4 by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 26
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDJ
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BU of 5rdj by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 43
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBP
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BU of 5rbp by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library B03a
Descriptor: 2-[(1~{S})-1-azanylpropyl]phenol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020

217705

PDB entries from 2024-03-27

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